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

Systemtic Name: prop-2-enyl 5-cyano-2-methyl-6-methylsulfanyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-4-9-22-17(21)14-11(2)20-16(23-3)13(10-18)15(14)12-5-7-19-8-6-12/h4-8,15,20H,1,9H2,2-3H3