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

Systemtic Name: prop-2-enyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-(methylthio)-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-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-2-methyl-6-(methylthio)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=CS2)C(=O)OCC=C

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SC)C#N)C2=CC=CS2)C(=O)OCC=C

InChI

InChI=1S/C16H16N2O2S2/c1-4-7-20-16(19)13-10(2)18-15(21-3)11(9-17)14(13)12-6-5-8-22-12/h4-6,8,14,18H,1,7H2,2-3H3/t14-/m0/s1