propan-2-yl (4S)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(C)C)C2=CN=CC=C2)C#N)S

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC(C)C)C2=CN=CC=C2)C#N)S

InChI

InChI=1S/C16H17N3O2S/c1-9(2)21-16(20)13-10(3)19-15(22)12(7-17)14(13)11-5-4-6-18-8-11/h4-6,8-9,13-14,22H,1-3H3/t13?,14-/m0/s1