4-[[2-[1-(4-fluorophenyl)-5-keto-3-[4-(2-ketopyrrolidino)benzyl]-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester

SpectraBase Compound ID	BhRIHTtL9Sx
InChI	InChI=1S/C31H29FN4O5S/c1-2-41-30(40)21-7-11-23(12-8-21)33-27(37)18-26-29(39)36(25-15-9-22(32)10-16-25)31(42)35(26)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	MVUSIKHNNLESKV-UHFFFAOYSA-N Google Search
Mol Weight	588.65 g/mol
Molecular Formula	C31H29FN4O5S
Exact Mass	588.184269 g/mol

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SpectraBase Spectrum ID	9QejtnrHVDY
Name	4-[[2-[1-(4-fluorophenyl)-5-keto-3-[4-(2-ketopyrrolidino)benzyl]-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester
Alternate Name(s)	4-[[2-[1-(4-fluorophenyl)-5-oxo-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-[2-[1-(4-fluorophenyl)-5-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Ethyl 4-[[2-[1-(4-fluorophenyl)-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Ethyl 4-[[2-[1-(4-fluorophenyl)-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
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Formula	C31H29FN4O5S
InChI	InChI=1S/C31H29FN4O5S/c1-2-41-30(40)21-7-11-23(12-8-21)33-27(37)18-26-29(39)36(25-15-9-22(32)10-16-25)31(42)35(26)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	MVUSIKHNNLESKV-UHFFFAOYSA-N
Molecular Weight	588.654 g/mol
SMILES	N(C(=O)CC1C(N(C(N1Cc1ccc(cc1)N1CCCC1=O)=S)c1ccc(cc1)F)=O)c1ccc(cc1)C(OCC)=O
SPLASH	splash10-00di-3900000000-86b8f44ed3ab228b0688
Wiley ID	1445626