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

Systemtic Name: [(2E)-2-[(1-ethylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate Openeye Name: [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic 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-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(2E)-2-[(1-ethylindol-3-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C25H18ClNO5S MolecularWeight: 479.93212

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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)C5=CC=C(C=C5)Cl

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)Cl

InChI

InChI=1S/C25H18ClNO5S/c1-2-27-15-16(20-5-3-4-6-22(20)27)13-24-25(28)21-12-9-18(14-23(21)31-24)32-33(29,30)19-10-7-17(26)8-11-19/h3-15H,2H2,1H3/b24-13+