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

Systemtic Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [(2E)-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(2E)-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C25H19NO6S MolecularWeight: 461.48646

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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)OC

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)OC

InChI

InChI=1S/C25H19NO6S/c1-26-15-16(20-5-3-4-6-22(20)26)13-24-25(27)21-12-9-18(14-23(21)31-24)32-33(28,29)19-10-7-17(30-2)8-11-19/h3-15H,1-2H3/b24-13+