[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]acetic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-[(5-bromofuran-2-carbonyl)amino]acetate Traditional Name: 2-[(5-bromo-2-furoyl)amino]acetic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO5/c1-10-4-5-13(8-11(10)2)17(22)12(3)24-16(21)9-20-18(23)14-6-7-15(19)25-14/h4-8,12H,9H2,1-3H3,(H,20,23)/t12-/m0/s1