[1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H21F3N2O4S MolecularWeight: 454.46265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H21F3N2O4S/c1-13(18(27)25-16-6-4-15(5-7-16)21(22,23)24)30-20(29)14-8-10-26(11-9-14)19(28)17-3-2-12-31-17/h2-7,12-14H,8-11H2,1H3,(H,25,27)