1-(1,3-benzodioxol-5-ylmethyl)-5-oxidanyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2H-pyrrol-3-one

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-oxidanyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2H-pyrrol-3-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2H-pyrrol-3-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-4-[[3-(trifluoromethyl)phenyl]methylthio]-2H-pyrrol-3-one IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-2H-pyrrol-3-one Traditional Name: 5-hydroxy-1-piperonyl-4-[[3-(trifluoromethyl)benzyl]thio]-2-pyrrolin-3-one Formula: C20H16F3NO4S MolecularWeight: 423.40555

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1CC2=CC3=C(C=C2)OCO3)O)SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C(=O)C(=C(N1CC2=CC3=C(C=C2)OCO3)O)SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H16F3NO4S/c21-20(22,23)14-3-1-2-13(6-14)10-29-18-15(25)9-24(19(18)26)8-12-4-5-16-17(7-12)28-11-27-16/h1-7,26H,8-11H2