prop-2-enyl (4R)-5-cyano-2-methyl-6-phenacylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4R)-5-cyano-2-methyl-6-phenacylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4R)-5-cyano-2-methyl-6-phenacylsulfanyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-2-methyl-6-(phenacylthio)-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-5-cyano-2-methyl-6-phenacylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-5-cyano-2-methyl-6-(phenacylthio)-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC=CS2)C#N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCC=C)C2=CC=CS2)C#N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20N2O3S2/c1-3-11-28-23(27)20-15(2)25-22(17(13-24)21(20)19-10-7-12-29-19)30-14-18(26)16-8-5-4-6-9-16/h3-10,12,20-21H,1,11,14H2,2H3/t20?,21-/m1/s1