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

Systemtic Name: (phenylmethyl) 5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-phenyl-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(methylthio)-4-phenyl-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C22H20N2O2S MolecularWeight: 376.4714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O2S/c1-15-19(22(25)26-14-16-9-5-3-6-10-16)20(17-11-7-4-8-12-17)18(13-23)21(24-15)27-2/h3-12,20,24H,14H2,1-2H3