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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H16F3NO3S MolecularWeight: 335.34195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3NO3S/c1-8(2)18-12(19)9(3)21-13(20)10-4-6-11(7-5-10)22-14(15,16)17/h4-9H,1-3H3,(H,18,19)/t9-/m0/s1