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4-[4-[2-(4-fluoroanilino)-2-keto-ethyl]-5-keto-3-[4-(2-ketopyrrolidino)benzyl]-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID 3o5uNmZmlNh
InChI InChI=1S/C31H29FN4O5S/c1-2-41-30(40)21-7-15-25(16-8-21)36-29(39)26(18-27(37)33-23-11-9-22(32)10-12-23)35(31(36)42)19-20-5-13-24(14-6-20)34-17-3-4-28(34)38/h5-16,26H,2-4,17-19H2,1H3,(H,33,37)
InChIKey FIKLYVGOKAUVSO-UHFFFAOYSA-N
Mol Weight 588.65 g/mol
Molecular Formula C31H29FN4O5S
Exact Mass 588.184269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnggVNu7uFu
Name 4-[4-[2-(4-fluoroanilino)-2-keto-ethyl]-5-keto-3-[4-(2-ketopyrrolidino)benzyl]-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester Ethyl 4-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-thioxo-imidazolidin-1-yl]benzoate Ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-1-yl]benzoate Ethyl 4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-sulfanylidene-imidazolidin-1-yl]benzoate
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Formula C31H29FN4O5S
InChI InChI=1S/C31H29FN4O5S/c1-2-41-30(40)21-7-15-25(16-8-21)36-29(39)26(18-27(37)33-23-11-9-22(32)10-12-23)35(31(36)42)19-20-5-13-24(14-6-20)34-17-3-4-28(34)38/h5-16,26H,2-4,17-19H2,1H3,(H,33,37)
InChIKey FIKLYVGOKAUVSO-UHFFFAOYSA-N
Molecular Weight 588.654 g/mol
SMILES N(C(=O)CC1C(N(C(N1Cc1ccc(cc1)N1CCCC1=O)=S)c1ccc(cc1)C(OCC)=O)=O)c1ccc(cc1)F
SPLASH splash10-00di-4900000000-b8eb17aab9e1e43ef99d
Wiley ID 1445693