[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H16BrFN2O3 MolecularWeight: 395.222943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrFN2O3/c1-9-3-5-12(8-14(9)19)21-16(22)10(2)24-17(23)13-7-11(18)4-6-15(13)20/h3-8,10H,20H2,1-2H3,(H,21,22)/t10-/m0/s1