ethyl (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(2-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(2-pyridinylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(pyridin-2-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(4-carbomethoxyphenyl)-5-cyano-2-methyl-6-(2-pyridylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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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)SCC3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=C(C=C2)C(=O)OC)C#N)SCC3=CC=CC=N3)C

InChI

InChI=1S/C24H23N3O4S/c1-4-31-24(29)20-15(2)27-22(32-14-18-7-5-6-12-26-18)19(13-25)21(20)16-8-10-17(11-9-16)23(28)30-3/h5-12,21,27H,4,14H2,1-3H3/t21-/m1/s1