[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C15H17F3N2O4S MolecularWeight: 378.36669

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)SC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3N2O4S/c1-3-9(2)19-14(23)20-12(21)8-24-13(22)10-4-6-11(7-5-10)25-15(16,17)18/h4-7,9H,3,8H2,1-2H3,(H2,19,20,21,23)/t9-/m0/s1