[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H20F3N3O3S MolecularWeight: 427.44061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N3O3S/c20-19(21,22)14-3-4-16(23-10-14)25-7-5-13(6-8-25)18(27)28-12-17(26)24-11-15-2-1-9-29-15/h1-4,9-10,13H,5-8,11-12H2,(H,24,26)