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

Systemtic Name: methyl 5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=NC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=NC=C2)C(=O)OC

InChI

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