tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)S)C#N)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)S)C#N)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C

InChI

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