[(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2E)-2-[(5-methoxy-1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2E)-3-keto-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]coumaran-6-yl] ester Formula: C26H21NO6S MolecularWeight: 475.51304

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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=CN(C5=C4C=C(C=C5)OC)C)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C\C4=CN(C5=C4C=C(C=C5)OC)C)/O3

InChI

InChI=1S/C26H21NO6S/c1-16-4-8-20(9-5-16)34(29,30)33-19-6-10-21-24(14-19)32-25(26(21)28)12-17-15-27(2)23-11-7-18(31-3)13-22(17)23/h4-15H,1-3H3/b25-12+