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4-[3-[(E)-[4-[chloro(difluoro)methoxy]anilino]-methylazaniumylidenemethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate

View entire compound with spectra: 1 MS (GC)

4-[3-[(E)-[4-[chloro(difluoro)methoxy]anilino]-methylazaniumylidenemethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
SpectraBase Compound ID 1d9f5o2EOUq
InChI InChI=1S/C20H16ClF2N3O5S/c1-24-19(25-12-4-8-14(9-5-12)31-20(21,22)23)32-15-10-16(27)26(17(15)28)13-6-2-11(3-7-13)18(29)30/h2-9,15H,10H2,1H3,(H,24,25)(H,29,30)
InChIKey YSZAEKRWZZYNMO-UHFFFAOYSA-N
Mol Weight 483.87 g/mol
Molecular Formula C20H16ClF2N3O5S
Exact Mass 483.046726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jWFhGj3rc
Name 4-[3-[(E)-[4-[chloro(difluoro)methoxy]anilino]-methylazaniumylidenemethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
Alternate Name(s) 4-[3-[(E)-[4-[chloro(difluoro)methoxy]anilino]-methyliminio-methyl]sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate 4-[3-[(E)-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]-methylazaniumylidene-methyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate 4-[3-[N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-N'-methyl-carbamimidoyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid 4-[3-[[(E)-[4-[chloro(difluoro)methoxy]anilino]-methyliminio-methyl]thio]-2,5-diketo-pyrrolidino]benzoate 4-[3-[[(E)-[4-[chloro(difluoro)methoxy]anilino]-methyliminiomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoate 4-[3-[[4-[chloro(difluoro)methoxy]anilino]-methylazaniumylidenemethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate 4-[3-[[4-[chloro(difluoro)methoxy]anilino]-methyliminio-methyl]sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate 4-[3-[[N-[4-[chloro(difluoro)methoxy]phenyl]-N'-methyl-amidino]thio]-2,5-diketo-pyrrolidino]benzoic acid 4-[3-[[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]-methylazaniumylidene-methyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate 4-[3-[[[4-[chloro(difluoro)methoxy]anilino]-methyliminio-methyl]thio]-2,5-diketo-pyrrolidino]benzoate 4-[3-[[[4-[chloro(difluoro)methoxy]anilino]-methyliminiomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoate 4-[3-[[[4-[chloro(difluoro)methoxy]anilino]-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid 4-[3-[N-[4-[chloro(difluoro)methoxy]phenyl]-N'-methylcarbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
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Formula C20H16ClF2N3O5S
InChI InChI=1S/C20H16ClF2N3O5S/c1-24-19(25-12-4-8-14(9-5-12)31-20(21,22)23)32-15-10-16(27)26(17(15)28)13-6-2-11(3-7-13)18(29)30/h2-9,15H,10H2,1H3,(H,24,25)(H,29,30)
InChIKey YSZAEKRWZZYNMO-UHFFFAOYSA-N
Molecular Weight 483.874 g/mol
SMILES N(\C(SC1CC(N(c2ccc(C(=O)O)cc2)C1=O)=O)=N/c1ccc(OC(F)(F)Cl)cc1)C
SPLASH splash10-05mk-9511000000-c11012816d776bbfcd36
Wiley ID 1448245