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

Systemtic Name: (3E)-6-ethoxy-5-methylsulfanyl-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-1-benzylidene-5-ethoxy-2-isopropylsulfonyl-6-methylsulfanyl-isoindoline CAS Name: (3E)-6-ethoxy-5-(methylthio)-3-(phenylmethylene)-2-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-3-benzylidene-6-ethoxy-5-methylsulfanyl-2-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-5-ethoxy-2-isopropylsulfonyl-6-(methylthio)isoindoline Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S2/c1-5-25-20-12-17-14-22(27(23,24)15(2)3)19(18(17)13-21(20)26-4)11-16-9-7-6-8-10-16/h6-13,15H,5,14H2,1-4H3/b19-11+