phenyl (3E)-5-(2-hydroxyphenyl)-6-methylsulfanyl-3-(phenylmethylidene)-1H-isoindole-2-sulfonate

Systemtic Name: phenyl (3E)-5-(2-hydroxyphenyl)-6-methylsulfanyl-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-6-(2-hydroxyphenyl)-5-methylsulfanyl-isoindoline-2-sulfonate CAS Name: (3E)-5-(2-hydroxyphenyl)-6-(methylthio)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-5-(2-hydroxyphenyl)-6-methylsulfanyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-6-(2-hydroxyphenyl)-5-(methylthio)isoindoline-2-sulfonic acid phenyl ester Formula: C28H23NO4S2 MolecularWeight: 501.61652

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1C3=CC=CC=C3O)C(=CC4=CC=CC=C4)N(C2)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CSC1=CC2=C(C=C1C3=CC=CC=C3O)/C(=C\C4=CC=CC=C4)/N(C2)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H23NO4S2/c1-34-28-17-21-19-29(35(31,32)33-22-12-6-3-7-13-22)26(16-20-10-4-2-5-11-20)24(21)18-25(28)23-14-8-9-15-27(23)30/h2-18,30H,19H2,1H3/b26-16+