[(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [(1S)-2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17BrFNO3 MolecularWeight: 394.234883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=C(C=C2)F)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)F)Br)C

InChI

InChI=1S/C18H17BrFNO3/c1-10-4-7-16(11(2)8-10)21-17(22)12(3)24-18(23)14-6-5-13(20)9-15(14)19/h4-9,12H,1-3H3,(H,21,22)/t12-/m0/s1