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

Systemtic Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-(pyridin-4-ylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-(4-pyridylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-5-cyano-6-methyl-2-[(pyridin-4-ylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-(pyridin-4-ylsulfanylmethyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-5-cyano-6-methyl-2-[(4-pyridylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)C)CSC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)C)CSC3=CC=NC=C3

InChI

InChI=1S/C22H20ClN3O2S/c1-3-28-22(27)21-19(13-29-15-8-10-25-11-9-15)26-14(2)17(12-24)20(21)16-6-4-5-7-18(16)23/h4-11,20,26H,3,13H2,1-2H3