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

Systemtic Name: methyl (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-4-(3,4-dimethoxyphenyl)-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-9-14(17(20)23-4)15(11(8-18)16(24)19-9)10-5-6-12(21-2)13(7-10)22-3/h5-7,15,19,24H,1-4H3/t15-/m1/s1