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

Systemtic Name: ethyl 4-(2-chlorophenyl)-5-cyano-2-propyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-5-cyano-2-propyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-5-cyano-6-mercapto-2-propyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-5-cyano-2-propyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-5-cyano-6-mercapto-2-propyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O2S/c1-3-7-14-16(18(22)23-4-2)15(12(10-20)17(24)21-14)11-8-5-6-9-13(11)19/h5-6,8-9,15,21,24H,3-4,7H2,1-2H3