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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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