(4-ethanoylphenyl) 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: (4-acetylphenyl) 6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid (4-acetylphenyl) ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OC3=CC=C(C=C3)C(=O)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OC3=CC=C(C=C3)C(=O)C)C4=CC=CS4

InChI

InChI=1S/C25H23NO4S/c1-16-5-9-19(10-6-16)26-23(28)14-13-21(24(26)22-4-3-15-31-22)25(29)30-20-11-7-18(8-12-20)17(2)27/h3-12,15,21,24H,13-14H2,1-2H3