(phenylmethyl) 5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(methylthio)-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CN=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C#N)C2=CN=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2S/c1-14-18(21(25)26-13-15-7-4-3-5-8-15)19(16-9-6-10-23-12-16)17(11-22)20(24-14)27-2/h3-10,12,19,24H,13H2,1-2H3