[(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate

Systemtic Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(2E)-7-methyl-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(2E)-3-keto-7-methyl-2-[(1-methylindol-3-yl)methylene]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=CC=CC=C43)C)C2=O)OS(=O)(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C=CC2=C1O/C(=C/C3=CN(C4=CC=CC=C43)C)/C2=O)OS(=O)(=O)C5=CC=C(C=C5)OC

InChI

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