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

Systemtic Name: ethyl 5-cyano-6-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-4-(3-pyridyl)-2-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-mercapto-6-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-mercapto-6-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)C)S

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)C)S

InChI

InChI=1S/C15H15N3O2S/c1-3-20-15(19)13-12(10-5-4-6-17-8-10)11(7-16)9(2)18-14(13)21/h4-6,8,12,18,21H,3H2,1-2H3