ethyl (4S)-4-(2-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-4-(2-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-4-(2-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-4-(2-chlorophenyl)-5-cyano-6-(ethylthio)-2-propyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(2-chlorophenyl)-5-cyano-6-(ethylthio)-2-propyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)SCC)C#N)C2=CC=CC=C2Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@@H](C(=C(N1)SCC)C#N)C2=CC=CC=C2Cl)C(=O)OCC

InChI

InChI=1S/C20H23ClN2O2S/c1-4-9-16-18(20(24)25-5-2)17(13-10-7-8-11-15(13)21)14(12-22)19(23-16)26-6-3/h7-8,10-11,17,23H,4-6,9H2,1-3H3/t17-/m1/s1