[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanylfuran-2-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H15BrO4 MolecularWeight: 351.1919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrO4/c1-9-4-5-10(2)12(8-9)15(18)11(3)20-16(19)13-6-7-14(17)21-13/h4-8,11H,1-3H3/t11-/m0/s1