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

Systemtic Name: [(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate Openeye Name: [(2E)-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [(2E)-3-keto-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7-methyl-coumaran-6-yl] ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=CC3=CN(C4=C3C=C(C=C4)OC)C)C2=O)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC2=C1O/C(=C/C3=CN(C4=C3C=C(C=C4)OC)C)/C2=O)OS(=O)(=O)C

InChI

InChI=1S/C21H19NO6S/c1-12-18(28-29(4,24)25)8-6-15-20(23)19(27-21(12)15)9-13-11-22(2)17-7-5-14(26-3)10-16(13)17/h5-11H,1-4H3/b19-9+