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

Systemtic Name: ethyl 4-(3-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O2S/c1-3-21-16(20)13-9(2)19-15(22)12(8-18)14(13)10-5-4-6-11(17)7-10/h4-7,14,19,22H,3H2,1-2H3