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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-oxidanyl-4-phenylsulfanyl-2H-pyrrol-3-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-4-phenylsulfanyl-2H-pyrrol-3-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-4-(phenylthio)-2H-pyrrol-3-one IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-4-phenylsulfanyl-2H-pyrrol-3-one Traditional Name: 5-hydroxy-4-(phenylthio)-1-piperonyl-2-pyrrolin-3-one Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1CC2=CC3=C(C=C2)OCO3)O)SC4=CC=CC=C4

Isomeric SMILES

C1C(=O)C(=C(N1CC2=CC3=C(C=C2)OCO3)O)SC4=CC=CC=C4

InChI

InChI=1S/C18H15NO4S/c20-14-10-19(9-12-6-7-15-16(8-12)23-11-22-15)18(21)17(14)24-13-4-2-1-3-5-13/h1-8,21H,9-11H2