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

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C12H11F3N2O4S MolecularWeight: 336.28695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N2O4S/c1-6(9(18)17-11(16)20)21-10(19)7-2-4-8(5-3-7)22-12(13,14)15/h2-6H,1H3,(H3,16,17,18,20)/t6-/m0/s1