[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] thiophene-2-carboxylate

Systemtic Name: [2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl] thiophene-2-carboxylate Openeye Name: [2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(3-bromo-4,5-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3-bromo-4,5-dimethoxyphenyl)-4-oxochromen-3-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C22H15BrO6S MolecularWeight: 487.3199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC=CS4)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC=CS4)Br)OC

InChI

InChI=1S/C22H15BrO6S/c1-26-16-11-12(10-14(23)20(16)27-2)19-21(29-22(25)17-8-5-9-30-17)18(24)13-6-3-4-7-15(13)28-19/h3-11H,1-2H3