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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)SC)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)SC)S(=O)(=O)OC4=CC=CC=C4

InChI

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