propan-2-yl 6-cyano-5-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propan-2-yl 6-cyano-5-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl 6-cyano-5-methyl-4-(3-pyridyl)-2-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-cyano-2-mercapto-5-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-cyano-5-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-cyano-2-mercapto-5-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid isopropyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OC(C)C)S)C#N

Isomeric SMILES

CC1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OC(C)C)S)C#N

InChI

InChI=1S/C16H17N3O2S/c1-9(2)21-16(20)14-13(11-5-4-6-18-8-11)10(3)12(7-17)19-15(14)22/h4-6,8-9,13,19,22H,1-3H3