prop-2-enyl (4S)-5-cyano-2-methyl-6-phenacylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-5-cyano-2-methyl-6-phenacylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-2-methyl-6-phenacylsulfanyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-(phenacylthio)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-2-methyl-6-phenacylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-2-methyl-6-(phenacylthio)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CS3)C(=O)OCC=C

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CS3)C(=O)OCC=C

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/h3-10,12,21,25H,1,11,14H2,2H3/t21-/m0/s1