[2-oxidanylidene-2-(phenethylamino)ethyl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 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 [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NCCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OCC(=O)NCCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C27H28N2O4S/c1-19-9-11-21(12-10-19)29-25(31)14-13-22(26(29)23-8-5-17-34-23)27(32)33-18-24(30)28-16-15-20-6-3-2-4-7-20/h2-12,17,22,26H,13-16,18H2,1H3,(H,28,30)