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

Systemtic Name: [(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C13H12F3NO5S MolecularWeight: 351.29829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3NO5S/c1-7(10(18)17-12(20)21-2)22-11(19)8-3-5-9(6-4-8)23-13(14,15)16/h3-7H,1-2H3,(H,17,18,20)/t7-/m0/s1