ethyl 6-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-acetamidoanilino)-2-oxo-ethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(4-acetamidoanilino)-2-keto-ethyl]thio]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C31H27ClN4O4S MolecularWeight: 587.08848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3=CC=C(C=C3)NC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC3=CC=C(C=C3)NC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C31H27ClN4O4S/c1-3-40-31(39)28-27(23-11-7-8-12-25(23)32)24(17-33)30(36-29(28)20-9-5-4-6-10-20)41-18-26(38)35-22-15-13-21(14-16-22)34-19(2)37/h4-16,27,36H,3,18H2,1-2H3,(H,34,37)(H,35,38)