ethyl 4-[2-[1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(4-ethoxycarbonylphenyl)-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-(4-carbethoxyphenyl)-5-keto-3-[4-(2-ketopyrrolidino)benzyl]-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C34H34N4O7S MolecularWeight: 642.72136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=C(C=C3)N4CCCC4=O)C5=CC=C(C=C5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=C(C=C3)N4CCCC4=O)C5=CC=C(C=C5)C(=O)OCC

InChI

InChI=1S/C34H34N4O7S/c1-3-44-32(42)23-9-13-25(14-10-23)35-29(39)20-28-31(41)38(27-17-11-24(12-18-27)33(43)45-4-2)34(46)37(28)21-22-7-15-26(16-8-22)36-19-5-6-30(36)40/h7-18,28H,3-6,19-21H2,1-2H3,(H,35,39)