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

Systemtic Name: phenyl (3Z)-6-methylsulfanyl-2-oxidanyl-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3Z)-3-benzylidene-2-hydroxy-6-methylsulfanyl-isoindoline-5-sulfonate CAS Name: (3Z)-2-hydroxy-6-(methylthio)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3Z)-3-benzylidene-2-hydroxy-6-methylsulfanyl-1H-isoindole-5-sulfonate Traditional Name: (3Z)-3-benzal-2-hydroxy-6-(methylthio)isoindoline-5-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)O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

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