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

Systemtic Name: prop-2-enyl 6-cyano-5-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 6-cyano-5-methyl-4-(3-pyridyl)-2-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-cyano-2-mercapto-5-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-cyano-5-methyl-4-pyridin-3-yl-2-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-cyano-2-mercapto-5-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OCC=C)S)C#N

Isomeric SMILES

CC1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OCC=C)S)C#N

InChI

InChI=1S/C16H15N3O2S/c1-3-7-21-16(20)14-13(11-5-4-6-18-9-11)10(2)12(8-17)19-15(14)22/h3-6,9,13,19,22H,1,7H2,2H3