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4-[[2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-[(2,3,4,5-tetrafluorophenyl)methyl]-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester
SpectraBase Compound ID 1CWQ0vr6hHT
InChI InChI=1S/C28H23F4N3O5S/c1-3-40-27(38)15-4-6-17(7-5-15)33-22(36)13-21-26(37)35(18-8-10-19(39-2)11-9-18)28(41)34(21)14-16-12-20(29)24(31)25(32)23(16)30/h4-12,21H,3,13-14H2,1-2H3,(H,33,36)
InChIKey DHFQFSRJQOCBPR-UHFFFAOYSA-N
Mol Weight 589.56 g/mol
Molecular Formula C28H23F4N3O5S
Exact Mass 589.129455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JLUcR6SMJg
Name 4-[[2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-[(2,3,4,5-tetrafluorophenyl)methyl]-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester
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Formula C28H23F4N3O5S
InChI InChI=1S/C28H23F4N3O5S/c1-3-40-27(38)15-4-6-17(7-5-15)33-22(36)13-21-26(37)35(18-8-10-19(39-2)11-9-18)28(41)34(21)14-16-12-20(29)24(31)25(32)23(16)30/h4-12,21H,3,13-14H2,1-2H3,(H,33,36)
InChIKey DHFQFSRJQOCBPR-UHFFFAOYSA-N
Molecular Weight 589.562 g/mol
SMILES N(C(=O)CC1C(N(C(N1Cc1c(c(c(c(c1)F)F)F)F)=S)c1ccc(cc1)OC)=O)c1ccc(cc1)C(OCC)=O
SPLASH splash10-03di-3911000000-42a2bb9747f7cafbc301
Synonyms 4-[[2-[5-keto-1-(4-methoxyphenyl)-3-(2,3,4,5-tetrafluorobenzyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Ethyl 4-[2-[1-(4-methoxyphenyl)-5-oxidanylidene-2-sulfanylidene-3-[[2,3,4,5-tetrakis(fluoranyl)phenyl]methyl]imidazolidin-4-yl]ethanoylamino]benzoate Ethyl 4-[[2-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylidene-3-[(2,3,4,5-tetrafluorophenyl)methyl]imidazolidin-4-yl]acetyl]amino]benzoate Ethyl 4-[[2-[1-(4-methoxyphenyl)-5-oxo-3-[(2,3,4,5-tetrafluorophenyl)methyl]-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
Wiley ID 1445695