[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C14H12F6N2O4 MolecularWeight: 386.246499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F6N2O4/c1-6(10(23)22-12(25)21-2)26-11(24)7-3-8(13(15,16)17)5-9(4-7)14(18,19)20/h3-6H,1-2H3,(H2,21,22,23,25)/t6-/m0/s1