prop-2-enyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(methylthio)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(methylthio)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-7-8-28-21(24)17-12(2)23-20(29-6)14(11-22)18(17)13-9-15(25-3)19(27-5)16(10-13)26-4/h7,9-10,18,23H,1,8H2,2-6H3