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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCN1C=C(C2=C1C=CC(=C2)OC)/C=C/3\C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H23NO6S/c1-4-28-16-18(23-14-19(32-3)8-12-24(23)28)13-26-27(29)22-11-7-20(15-25(22)33-26)34-35(30,31)21-9-5-17(2)6-10-21/h5-16H,4H2,1-3H3/b26-13+