[(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate

Systemtic Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2E)-2-[(1-ethyl-3-indolyl)methylidene]-7-methyl-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-keto-7-methyl-coumaran-6-yl] ester Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H21NO5S/c1-3-27-16-18(20-11-7-8-12-22(20)27)15-24-25(28)21-13-14-23(17(2)26(21)31-24)32-33(29,30)19-9-5-4-6-10-19/h4-16H,3H2,1-2H3/b24-15+