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

Systemtic Name: phenyl (3E)-6-methylsulfanyl-5-oxidanyl-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-6-hydroxy-5-methylsulfanyl-isoindoline-2-sulfonate CAS Name: (3E)-5-hydroxy-6-(methylthio)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-5-hydroxy-6-methylsulfanyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-6-hydroxy-5-(methylthio)isoindoline-2-sulfonic acid phenyl ester Formula: C22H19NO4S2 MolecularWeight: 425.52056

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)O

Isomeric SMILES

CSC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)O

InChI

InChI=1S/C22H19NO4S2/c1-28-22-13-17-15-23(29(25,26)27-18-10-6-3-7-11-18)20(19(17)14-21(22)24)12-16-8-4-2-5-9-16/h2-14,24H,15H2,1H3/b20-12+