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

Systemtic Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] benzenesulfonate Openeye Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [(2E)-3-keto-7-methyl-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C25H19NO5S MolecularWeight: 445.48706

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO5S/c1-16-22(31-32(28,29)18-8-4-3-5-9-18)13-12-20-24(27)23(30-25(16)20)14-17-15-26(2)21-11-7-6-10-19(17)21/h3-15H,1-2H3/b23-14+