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

Systemtic Name: [3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-keto-2-(4-pyridylmethylene)coumaran-6-yl] ester Formula: C20H13NO5S MolecularWeight: 379.38592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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