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

Systemtic Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-propyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-propyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)SC)C#N)C2=CC=CC=C2Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C(=C(N1)SC)C#N)C2=CC=CC=C2Cl)C(=O)OCC

InChI

InChI=1S/C19H21ClN2O2S/c1-4-8-15-17(19(23)24-5-2)16(12-9-6-7-10-14(12)20)13(11-21)18(22-15)25-3/h6-7,9-10,16,22H,4-5,8H2,1-3H3