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

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H18F3NO3S MolecularWeight: 349.36853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3NO3S/c1-9(12(20)19-14(2,3)4)22-13(21)10-5-7-11(8-6-10)23-15(16,17)18/h5-9H,1-4H3,(H,19,20)/t9-/m0/s1