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

Systemtic Name: ethyl 5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-methylsulfanyl-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(methylthio)-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-4-21-16(20)13-10(2)19-15(22-3)12(9-17)14(13)11-5-7-18-8-6-11/h5-8,14,19H,4H2,1-3H3