[2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-[(3S)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C16H17F3N2O4S MolecularWeight: 390.37739

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)SC(F)(F)F)C(=O)N

InChI

InChI=1S/C16H17F3N2O4S/c17-16(18,19)26-12-5-3-10(4-6-12)15(24)25-9-13(22)21-7-1-2-11(8-21)14(20)23/h3-6,11H,1-2,7-9H2,(H2,20,23)/t11-/m0/s1