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

Systemtic Name: methyl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-methyl-4-(3-pyridyl)-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-mercapto-2-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-mercapto-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CN=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C14H13N3O2S/c1-8-11(14(18)19-2)12(9-4-3-5-16-7-9)10(6-15)13(20)17-8/h3-5,7,12,17,20H,1-2H3