[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]acetic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(5-bromofuran-2-carbonyl)amino]acetate Traditional Name: 2-[(5-bromo-2-furoyl)amino]acetic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C17H17BrN2O5 MolecularWeight: 409.23128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CNC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CNC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C17H17BrN2O5/c1-10-3-5-12(6-4-10)20-16(22)11(2)24-15(21)9-19-17(23)13-7-8-14(18)25-13/h3-8,11H,9H2,1-2H3,(H,19,23)(H,20,22)/t11-/m0/s1