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

Systemtic Name: 2-cyanoethyl 5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-cyanoethyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(methylthio)-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CN=CC=C2)C(=O)OCCC#N

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C#N)C2=CN=CC=C2)C(=O)OCCC#N

InChI

InChI=1S/C17H16N4O2S/c1-11-14(17(22)23-8-4-6-18)15(12-5-3-7-20-10-12)13(9-19)16(21-11)24-2/h3,5,7,10,15,21H,4,8H2,1-2H3