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benzoic acid, 4-[3-[[(Z)-[[4-(chlorodifluoromethoxy)phenyl]amino][(Z)-ethylimino]methyl]thio]-2,5-dioxo-1-pyrrolidinyl]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

benzoic acid, 4-[3-[[(Z)-[[4-(chlorodifluoromethoxy)phenyl]amino][(Z)-ethylimino]methyl]thio]-2,5-dioxo-1-pyrrolidinyl]-
SpectraBase Compound ID A7IImt6dwGN
InChI InChI=1S/C21H18ClF2N3O5S/c1-2-25-20(26-13-5-9-15(10-6-13)32-21(22,23)24)33-16-11-17(28)27(18(16)29)14-7-3-12(4-8-14)19(30)31/h3-10,16H,2,11H2,1H3,(H,25,26)(H,30,31)
InChIKey WTGBFFKAOXOXMO-UHFFFAOYSA-N
Mol Weight 497.9 g/mol
Molecular Formula C21H18ClF2N3O5S
Exact Mass 497.062376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSa2QaMDuk1
Name 4-[3-[(E)-[4-[chloro(difluoro)methoxy]anilino]-ethylazaniumylidenemethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
Alternate Name(s) 4-[3-[(E)-[4-[chloro(difluoro)methoxy]anilino]-ethyliminio-methyl]sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate 4-[3-[(E)-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]-ethylazaniumylidene-methyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate 4-[3-[N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-N'-ethyl-carbamimidoyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid 4-[3-[[(E)-[4-[chloro(difluoro)methoxy]anilino]-ethyliminio-methyl]thio]-2,5-diketo-pyrrolidino]benzoate 4-[3-[[(E)-[4-[chloro(difluoro)methoxy]anilino]-ethyliminiomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoate 4-[3-[[4-[chloro(difluoro)methoxy]anilino]-ethylazaniumylidenemethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate 4-[3-[[4-[chloro(difluoro)methoxy]anilino]-ethyliminio-methyl]sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate 4-[3-[[N-[4-[chloro(difluoro)methoxy]phenyl]-N'-ethyl-amidino]thio]-2,5-diketo-pyrrolidino]benzoic acid 4-[3-[[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]-ethylazaniumylidene-methyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate 4-[3-[[[4-[chloro(difluoro)methoxy]anilino]-ethyliminio-methyl]thio]-2,5-diketo-pyrrolidino]benzoate 4-[3-[[[4-[chloro(difluoro)methoxy]anilino]-ethyliminiomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoate 4-[3-[[[4-[chloro(difluoro)methoxy]anilino]-ethyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid 4-[3-[N-[4-[chloro(difluoro)methoxy]phenyl]-N'-ethylcarbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
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Formula C21H18ClF2N3O5S
InChI InChI=1S/C21H18ClF2N3O5S/c1-2-25-20(26-13-5-9-15(10-6-13)32-21(22,23)24)33-16-11-17(28)27(18(16)29)14-7-3-12(4-8-14)19(30)31/h3-10,16H,2,11H2,1H3,(H,25,26)(H,30,31)
InChIKey WTGBFFKAOXOXMO-UHFFFAOYSA-N
Molecular Weight 497.901 g/mol
SMILES N(\C(SC1CC(N(c2ccc(C(=O)O)cc2)C1=O)=O)=N/c1ccc(OC(Cl)(F)F)cc1)CC
SPLASH splash10-0a4i-9510000000-29478a34e79a6fb17d7d
Wiley ID 1448173