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

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C13H13F3N2O4S MolecularWeight: 350.31353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N2O4S/c1-7(10(19)18-12(21)17-2)22-11(20)8-3-5-9(6-4-8)23-13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,21)/t7-/m0/s1