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

Systemtic Name: [3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-keto-2-(4-pyridylmethylene)coumaran-6-yl] ester Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3

InChI

InChI=1S/C21H15NO5S/c1-14-2-5-17(6-3-14)28(24,25)27-16-4-7-18-19(13-16)26-20(21(18)23)12-15-8-10-22-11-9-15/h2-13H,1H3