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

Systemtic Name: methyl 4-(3-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(3-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5-cyano-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-5-cyano-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C15H13ClN2O2S MolecularWeight: 320.79392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2O2S/c1-8-12(15(19)20-2)13(11(7-17)14(21)18-8)9-4-3-5-10(16)6-9/h3-6,13,18,21H,1-2H3