[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H16F3NO4S MolecularWeight: 411.39485

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C19H16F3NO4S/c1-11(24)14-4-3-5-15(10-14)23-17(25)12(2)27-18(26)13-6-8-16(9-7-13)28-19(20,21)22/h3-10,12H,1-2H3,(H,23,25)/t12-/m0/s1