[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate

Systemtic Name: [(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [(2Z)-2-[(3-methyl-2-thienyl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(2Z)-2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(2Z)-3-keto-2-[(3-methyl-2-thienyl)methylene]coumaran-6-yl] ester Formula: C21H16O6S2 MolecularWeight: 428.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H16O6S2/c1-13-9-10-28-20(13)12-19-21(22)17-8-5-15(11-18(17)26-19)27-29(23,24)16-6-3-14(25-2)4-7-16/h3-12H,1-2H3/b19-12-