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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H16F3NO3S MolecularWeight: 383.38475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C18H16F3NO3S/c1-12(16(23)22-11-13-5-3-2-4-6-13)25-17(24)14-7-9-15(10-8-14)26-18(19,20)21/h2-10,12H,11H2,1H3,(H,22,23)/t12-/m0/s1