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

Systemtic Name: phenyl (3E)-6-ethoxy-5-methylsulfanyl-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-5-ethoxy-6-methylsulfanyl-isoindoline-2-sulfonate CAS Name: (3E)-6-ethoxy-5-(methylthio)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-ethoxy-5-methylsulfanyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-ethoxy-6-(methylthio)isoindoline-2-sulfonic acid phenyl ester Formula: C24H23NO4S2 MolecularWeight: 453.57372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)SC

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)SC

InChI

InChI=1S/C24H23NO4S2/c1-3-28-23-15-19-17-25(31(26,27)29-20-12-8-5-9-13-20)22(21(19)16-24(23)30-2)14-18-10-6-4-7-11-18/h4-16H,3,17H2,1-2H3/b22-14+