methyl (3S,4S)-6-bromanyl-2-oxidanylidene-4-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]-3,4-dihydrochromene-3-carboxylate

Systemtic Name: methyl (3S,4S)-6-bromanyl-2-oxidanylidene-4-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]-3,4-dihydrochromene-3-carboxylate Openeye Name: methyl (3S,4S)-6-bromo-4-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]-2-oxo-chromane-3-carboxylate CAS Name: (3S,4S)-6-bromo-2-oxo-4-[(2R)-1-oxo-1-phenylpropan-2-yl]-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-6-bromo-2-oxo-4-[(2R)-1-oxo-1-phenylpropan-2-yl]-3,4-dihydrochromene-3-carboxylate Traditional Name: (3S,4S)-6-bromo-2-keto-4-[(1R)-2-keto-1-methyl-2-phenyl-ethyl]chroman-3-carboxylic acid methyl ester Formula: C20H17BrO5 MolecularWeight: 417.24998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@H]1[C@H](C(=O)OC2=C1C=C(C=C2)Br)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17BrO5/c1-11(18(22)12-6-4-3-5-7-12)16-14-10-13(21)8-9-15(14)26-20(24)17(16)19(23)25-2/h3-11,16-17H,1-2H3/t11-,16-,17+/m1/s1