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

Systemtic Name: prop-2-enyl 5-cyano-2-methyl-4-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 5-cyano-2-methyl-4-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-mercapto-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-2-methyl-4-phenyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-mercapto-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S/c1-3-9-21-17(20)14-11(2)19-16(22)13(10-18)15(14)12-7-5-4-6-8-12/h3-8,15,19,22H,1,9H2,2H3