[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H21F3N2O4S MolecularWeight: 454.46265

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CS2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=CS2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4S/c22-21(23,24)16-5-3-14(4-6-16)19(28)26-9-7-15(8-10-26)20(29)30-13-18(27)25-12-17-2-1-11-31-17/h1-6,11,15H,7-10,12-13H2,(H,25,27)