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

Systemtic Name: methyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O2S/c1-9-13(16(20)21-2)14(10-4-6-11(17)7-5-10)12(8-18)15(19-9)22-3/h4-7,14,19H,1-3H3