ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-5-cyano-6-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C32H28N2O5S MolecularWeight: 552.64012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H28N2O5S/c1-4-39-32(37)28-20(2)34-30(26(18-33)29(28)24-14-16-25(17-15-24)31(36)38-3)40-19-27(35)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h5-17,29,34H,4,19H2,1-3H3