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

Systemtic Name: ethyl 4-(3-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(3-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C#N)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C#N)SC)C

InChI

InChI=1S/C17H17ClN2O2S/c1-4-22-17(21)14-10(2)20-16(23-3)13(9-19)15(14)11-6-5-7-12(18)8-11/h5-8,15,20H,4H2,1-3H3