1-(1,3-benzodioxol-5-ylmethyl)-5-oxidanyl-4-phenethylsulfanyl-2H-pyrrol-3-one

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-oxidanyl-4-phenethylsulfanyl-2H-pyrrol-3-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-4-phenethylsulfanyl-2H-pyrrol-3-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-4-(phenethylthio)-2H-pyrrol-3-one IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-4-phenethylsulfanyl-2H-pyrrol-3-one Traditional Name: 5-hydroxy-4-(phenethylthio)-1-piperonyl-2-pyrrolin-3-one Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1CC2=CC3=C(C=C2)OCO3)O)SCCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)C(=C(N1CC2=CC3=C(C=C2)OCO3)O)SCCC4=CC=CC=C4

InChI

InChI=1S/C20H19NO4S/c22-16-12-21(11-15-6-7-17-18(10-15)25-13-24-17)20(23)19(16)26-9-8-14-4-2-1-3-5-14/h1-7,10,23H,8-9,11-13H2