[(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate

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

Click to see the large picture

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)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C27H23NO6S/c1-4-28-16-18(21-7-5-6-8-23(21)28)15-25-26(29)22-13-14-24(17(2)27(22)33-25)34-35(30,31)20-11-9-19(32-3)10-12-20/h5-16H,4H2,1-3H3/b25-15+