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

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19F3N2O4S MolecularWeight: 392.39327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O4S/c1-9(12(22)20-14(24)21-15(2,3)4)25-13(23)10-5-7-11(8-6-10)26-16(17,18)19/h5-9H,1-4H3,(H2,20,21,22,24)/t9-/m0/s1