(3E)-5-methoxy-6-methylsulfanyl-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindole

Systemtic Name: (3E)-5-methoxy-6-methylsulfanyl-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-1-benzylidene-2-isopropylsulfonyl-6-methoxy-5-methylsulfanyl-isoindoline CAS Name: (3E)-5-methoxy-6-(methylthio)-3-(phenylmethylene)-2-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-3-benzylidene-5-methoxy-6-methylsulfanyl-2-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-2-isopropylsulfonyl-6-methoxy-5-(methylthio)isoindoline Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)OC)SC

Isomeric SMILES

CC(C)S(=O)(=O)N\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)OC)SC

InChI

InChI=1S/C20H23NO3S2/c1-14(2)26(22,23)21-13-16-11-20(25-4)19(24-3)12-17(16)18(21)10-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3/b18-10+