[2-(1H-indol-3-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1H-indol-3-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [2-(1H-indol-3-ylmethylene)-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1H-indol-3-ylmethylidene)-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1H-indol-3-ylmethylene)-3-keto-coumaran-6-yl] ester Formula: C24H17NO5S MolecularWeight: 431.46048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CNC5=CC=CC=C54)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CNC5=CC=CC=C54)O3

InChI

InChI=1S/C24H17NO5S/c1-15-6-9-18(10-7-15)31(27,28)30-17-8-11-20-22(13-17)29-23(24(20)26)12-16-14-25-21-5-3-2-4-19(16)21/h2-14,25H,1H3