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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)S)C#N)C2=CN=CC=C2

InChI

InChI=1S/C15H15N3O2S/c1-3-20-15(19)12-9(2)18-14(21)11(7-16)13(12)10-5-4-6-17-8-10/h4-6,8,12-13,21H,3H2,1-2H3/t12?,13-/m1/s1