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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)OC)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C2CN(/C(=C\C3=CC=CC=C3)/C2=C1)OC)SC

InChI

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