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

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; piperidine Openeye Name: ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; piperidine CAS Name: 4-(4-chlorophenyl)-5-cyano-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester; piperidine IUPAC Name: ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate; piperidine Traditional Name: 4-(4-chlorophenyl)-5-cyano-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester; piperidine Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)S)C.C1CCNCC1

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)S)C.C1CCNCC1

InChI

InChI=1S/C16H15ClN2O2S.C5H11N/c1-3-21-16(20)13-9(2)19-15(22)12(8-18)14(13)10-4-6-11(17)7-5-10;1-2-4-6-5-3-1/h4-7,14,19,22H,3H2,1-2H3;6H,1-5H2