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

Systemtic Name: methyl (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(3-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(3-pyridinylmethylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(3-pyridylmethylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CN=CC=C2)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC2=CN=CC=C2)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)OC

InChI

InChI=1S/C23H23N3O4S/c1-14-20(23(27)30-4)21(16-7-8-18(28-2)19(10-16)29-3)17(11-24)22(26-14)31-13-15-6-5-9-25-12-15/h5-10,12,21,26H,13H2,1-4H3/t21-/m1/s1