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

Systemtic Name: [3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-keto-2-(3-pyridylmethylene)coumaran-6-yl] ester Formula: C20H13NO5S MolecularWeight: 379.38592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13NO5S/c22-20-17-9-8-15(26-27(23,24)16-6-2-1-3-7-16)12-18(17)25-19(20)11-14-5-4-10-21-13-14/h1-13H