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

Systemtic Name: [(2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate Openeye Name: [(2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] methanesulfonate CAS Name: methanesulfonic acid [(2E)-2-[(1-ethyl-5-methoxy-3-indolyl)methylidene]-7-methyl-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-keto-7-methyl-coumaran-6-yl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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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)C)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)C)C

InChI

InChI=1S/C22H21NO6S/c1-5-23-12-14(17-11-15(27-3)6-8-18(17)23)10-20-21(24)16-7-9-19(29-30(4,25)26)13(2)22(16)28-20/h6-12H,5H2,1-4H3/b20-10+