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

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-cyano-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-cyano-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-cyano-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)SC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)SC)C3=CC=CC=C3

InChI

InChI=1S/C22H19ClN2O2S/c1-3-27-22(26)19-18(14-9-11-16(23)12-10-14)17(13-24)21(28-2)25-20(19)15-7-5-4-6-8-15/h4-12,18,25H,3H2,1-2H3