ethyl 5-cyano-6-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-2-phenyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-methylphenyl)-6-[[2-oxo-2-(N-phenylanilino)ethyl]thio]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(4-methylphenyl)-6-[2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(N-phenylanilino)ethyl]thio]-2-phenyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C36H31N3O3S MolecularWeight: 585.71464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C#N)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C#N)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H31N3O3S/c1-3-42-36(41)33-32(26-21-19-25(2)20-22-26)30(23-37)35(38-34(33)27-13-7-4-8-14-27)43-24-31(40)39(28-15-9-5-10-16-28)29-17-11-6-12-18-29/h4-22,32,38H,3,24H2,1-2H3