propan-2-yl 5-cyano-2-methylidene-4-pyridin-3-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(C(=C(NC1=C)S)C#N)C2=CN=CC=C2

Isomeric SMILES

CC(C)OC(=O)C1C(C(=C(NC1=C)S)C#N)C2=CN=CC=C2

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/h4-6,8-9,13-14,19,22H,3H2,1-2H3