[(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-fluoranylbenzenesulfonate Openeye Name: [(2E)-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [(2E)-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [(2E)-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C24H16FNO5S MolecularWeight: 449.450943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H16FNO5S/c1-26-14-15(19-4-2-3-5-21(19)26)12-23-24(27)20-11-8-17(13-22(20)30-23)31-32(28,29)18-9-6-16(25)7-10-18/h2-14H,1H3/b23-12+