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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[[2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C34H31N3O4S2 MolecularWeight: 609.75764

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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=C3SCCC4=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=C3SCCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H31N3O4S2/c1-3-41-33(40)31-27(25-16-14-23(2)15-17-25)22-43-32(31)36-29(38)21-37-30(39)20-28(26-12-8-5-9-13-26)35-34(37)42-19-18-24-10-6-4-7-11-24/h4-17,20,22H,3,18-19,21H2,1-2H3,(H,36,38)