[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] thiophene-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] thiophene-2-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-keto-2-veratrylidene-coumaran-6-yl) ester Formula: C22H16O6S MolecularWeight: 408.42384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16O6S/c1-25-16-8-5-13(10-18(16)26-2)11-19-21(23)15-7-6-14(12-17(15)28-19)27-22(24)20-4-3-9-29-20/h3-12H,1-2H3