ethyl 1-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[3-(trifluoromethylthio)anilino]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]piperidine-3-carboxylate Traditional Name: 1-[[3-(trifluoromethylthio)phenyl]carbamoyl]nipecotic acid ethyl ester Formula: C16H19F3N2O3S MolecularWeight: 376.39387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)NC2=CC(=CC=C2)SC(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)NC2=CC(=CC=C2)SC(F)(F)F

InChI

InChI=1S/C16H19F3N2O3S/c1-2-24-14(22)11-5-4-8-21(10-11)15(23)20-12-6-3-7-13(9-12)25-16(17,18)19/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H,20,23)