[(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate

Systemtic Name: [(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic acid [(2E)-2-[(5-methoxy-1-methyl-3-indolyl)methylidene]-7-methyl-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(2E)-3-keto-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-coumaran-6-yl] ester Formula: C26H21NO6S MolecularWeight: 475.51304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=CC3=CN(C4=C3C=C(C=C4)OC)C)C2=O)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC2=C1O/C(=C/C3=CN(C4=C3C=C(C=C4)OC)C)/C2=O)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H21NO6S/c1-16-23(33-34(29,30)19-7-5-4-6-8-19)12-10-20-25(28)24(32-26(16)20)13-17-15-27(2)22-11-9-18(31-3)14-21(17)22/h4-15H,1-3H3/b24-13+