[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C14H15F3N2O4S MolecularWeight: 364.34011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N2O4S/c1-7(2)10(11(20)19-13(18)22)23-12(21)8-3-5-9(6-4-8)24-14(15,16)17/h3-7,10H,1-2H3,(H3,18,19,20,22)/t10-/m0/s1