[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] thiophene-2-carboxylate

Systemtic Name: [2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] thiophene-2-carboxylate Openeye Name: [2-[(5-bromo-2-methoxy-phenyl)methylene]-3-oxo-benzofuran-6-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(5-bromo-2-methoxy-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C21H13BrO5S MolecularWeight: 457.29392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CS4

InChI

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