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

Systemtic Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] methanesulfonate Openeye Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-7-methyl-3-oxo-benzofuran-6-yl] methanesulfonate CAS Name: methanesulfonic acid [(2E)-2-[(1-ethyl-3-indolyl)methylidene]-7-methyl-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-keto-7-methyl-coumaran-6-yl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)OS(=O)(=O)C)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)OS(=O)(=O)C)C

InChI

InChI=1S/C21H19NO5S/c1-4-22-12-14(15-7-5-6-8-17(15)22)11-19-20(23)16-9-10-18(27-28(3,24)25)13(2)21(16)26-19/h5-12H,4H2,1-3H3/b19-11+