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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSN1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)O

Isomeric SMILES

CSN\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)O

InChI

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