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

Systemtic Name: phenyl (3E)-2-ethoxy-6-fluoranyl-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-3-benzylidene-2-ethoxy-6-fluoro-isoindoline-5-sulfonate CAS Name: (3E)-2-ethoxy-6-fluoro-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-2-ethoxy-6-fluoro-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-2-ethoxy-6-fluoro-isoindoline-5-sulfonic acid phenyl ester Formula: C23H20FNO4S MolecularWeight: 425.472603

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H20FNO4S/c1-2-28-25-16-18-14-21(24)23(30(26,27)29-19-11-7-4-8-12-19)15-20(18)22(25)13-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3/b22-13+