[3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methoxybenzenesulfonate

Systemtic Name: [3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-keto-2-(3-pyridylmethylene)coumaran-6-yl] ester Formula: C21H15NO6S MolecularWeight: 409.4119

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN=CC=C4)O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN=CC=C4)O3

InChI

InChI=1S/C21H15NO6S/c1-26-15-4-7-17(8-5-15)29(24,25)28-16-6-9-18-19(12-16)27-20(21(18)23)11-14-3-2-10-22-13-14/h2-13H,1H3