[(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2E)-3-keto-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-coumaran-6-yl] ester Formula: C27H23NO6S MolecularWeight: 489.53962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2)C(=O)C(=CC4=CN(C5=C4C=C(C=C5)OC)C)O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2)C(=O)/C(=C\C4=CN(C5=C4C=C(C=C5)OC)C)/O3)C

InChI

InChI=1S/C27H23NO6S/c1-16-5-8-20(9-6-16)35(30,31)34-24-12-10-21-26(29)25(33-27(21)17(24)2)13-18-15-28(3)23-11-7-19(32-4)14-22(18)23/h5-15H,1-4H3/b25-13+