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

Systemtic Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2E)-2-[(1-ethyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C26H21NO5S MolecularWeight: 459.51364

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)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)C

InChI

InChI=1S/C26H21NO5S/c1-3-27-16-18(21-6-4-5-7-23(21)27)14-25-26(28)22-13-10-19(15-24(22)31-25)32-33(29,30)20-11-8-17(2)9-12-20/h4-16H,3H2,1-2H3/b25-14+