ethyl 4-(4-methylphenyl)-2-[2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C33H29N3O4S2 MolecularWeight: 595.73106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN3C(=O)C=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN3C(=O)C=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29N3O4S2/c1-3-40-32(39)30-26(24-16-14-22(2)15-17-24)21-41-31(30)35-28(37)19-36-29(38)18-27(25-12-8-5-9-13-25)34-33(36)42-20-23-10-6-4-7-11-23/h4-18,21H,3,19-20H2,1-2H3,(H,35,37)