[2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl] thiophene-2-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-chromen-3-yl] thiophene-2-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-4-oxo-chromen-3-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-4-oxochromen-3-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C21H13BrO5S MolecularWeight: 457.29392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrO5S/c1-25-16-9-8-12(11-14(16)22)19-20(27-21(24)17-7-4-10-28-17)18(23)13-5-2-3-6-15(13)26-19/h2-11H,1H3