2-[[2-(acetyloxymethyl)-5-oxidanylidene-cyclopenten-1-yl]methylsulfanyl]propanoic acid; aziridin-2-one

Systemtic Name: 2-[[2-(acetyloxymethyl)-5-oxidanylidene-cyclopenten-1-yl]methylsulfanyl]propanoic acid; aziridin-2-one Openeye Name: 2-[[2-(acetoxymethyl)-5-oxo-cyclopenten-1-yl]methylsulfanyl]propanoic acid; aziridin-2-one CAS Name: 2-[[2-(acetyloxymethyl)-5-oxo-1-cyclopentenyl]methylthio]propanoic acid; 2-aziridinone IUPAC Name: 2-[[2-(acetyloxymethyl)-5-oxocyclopenten-1-yl]methylsulfanyl]propanoic acid; aziridin-2-one Traditional Name: 2-[[2-(acetoxymethyl)-5-keto-cyclopenten-1-yl]methylthio]propionic acid; ethylenimin-2-one Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(CCC1=O)COC(=O)C.C1C(=O)N1

Isomeric SMILES

CC(C(=O)O)SCC1=C(CCC1=O)COC(=O)C.C1C(=O)N1

InChI

InChI=1S/C12H16O5S.C2H3NO/c1-7(12(15)16)18-6-10-9(3-4-11(10)14)5-17-8(2)13;4-2-1-3-2/h7H,3-6H2,1-2H3,(H,15,16);1H2,(H,3,4)