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

Systemtic Name: phenyl (3E)-6-methoxy-5-methylsulfanyl-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-5-methoxy-6-methylsulfanyl-isoindoline-2-sulfonate CAS Name: (3E)-6-methoxy-5-(methylthio)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-methoxy-5-methylsulfanyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-methoxy-6-(methylthio)isoindoline-2-sulfonic acid phenyl ester Formula: C23H21NO4S2 MolecularWeight: 439.54714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)SC

Isomeric SMILES

COC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)SC

InChI

InChI=1S/C23H21NO4S2/c1-27-22-14-18-16-24(30(25,26)28-19-11-7-4-8-12-19)21(20(18)15-23(22)29-2)13-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3/b21-13+