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

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-(methylthio)-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-2-methyl-6-(methylthio)-4-(3-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=CN=CC=C2)C#N)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CN=CC=C2)C#N)SC)C

InChI

InChI=1S/C16H17N3O2S/c1-4-21-16(20)13-10(2)19-15(22-3)12(8-17)14(13)11-6-5-7-18-9-11/h5-7,9,14,19H,4H2,1-3H3/t14-/m1/s1