(5-bromanyl-2-methanoyl-phenyl) 7,8-dimethoxy-1-oxidanylidene-isothiochromene-3-carboxylate

Systemtic Name: (5-bromanyl-2-methanoyl-phenyl) 7,8-dimethoxy-1-oxidanylidene-isothiochromene-3-carboxylate Openeye Name: (5-bromo-2-formyl-phenyl) 7,8-dimethoxy-1-oxo-isothiochromene-3-carboxylate CAS Name: 7,8-dimethoxy-1-oxo-2-benzothiopyran-3-carboxylic acid (5-bromo-2-formylphenyl) ester IUPAC Name: (5-bromo-2-formylphenyl) 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate Traditional Name: 1-keto-7,8-dimethoxy-isothiochromene-3-carboxylic acid (5-bromo-2-formyl-phenyl) ester Formula: C19H13BrO6S MolecularWeight: 449.27192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)OC3=C(C=CC(=C3)Br)C=O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)OC3=C(C=CC(=C3)Br)C=O)OC

InChI

InChI=1S/C19H13BrO6S/c1-24-13-6-4-10-7-15(27-19(23)16(10)17(13)25-2)18(22)26-14-8-12(20)5-3-11(14)9-21/h3-9H,1-2H3