aziridin-2-one; 2-[[2-(hydroxymethyl)-5-oxidanylidene-cyclopent-3-en-1-yl]methylsulfanyl]propanoic acid

Systemtic Name: aziridin-2-one; 2-[[2-(hydroxymethyl)-5-oxidanylidene-cyclopent-3-en-1-yl]methylsulfanyl]propanoic acid Openeye Name: aziridin-2-one; 2-[[2-(hydroxymethyl)-5-oxo-cyclopent-3-en-1-yl]methylsulfanyl]propanoic acid CAS Name: 2-aziridinone; 2-[[2-(hydroxymethyl)-5-oxo-1-cyclopent-3-enyl]methylthio]propanoic acid IUPAC Name: aziridin-2-one; 2-[[2-(hydroxymethyl)-5-oxocyclopent-3-en-1-yl]methylsulfanyl]propanoic acid Traditional Name: ethylenimin-2-one; 2-[(2-keto-5-methylol-cyclopent-3-en-1-yl)methylthio]propionic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1C(C=CC1=O)CO.C1C(=O)N1

Isomeric SMILES

CC(C(=O)O)SCC1C(C=CC1=O)CO.C1C(=O)N1

InChI

InChI=1S/C10H14O4S.C2H3NO/c1-6(10(13)14)15-5-8-7(4-11)2-3-9(8)12;4-2-1-3-2/h2-3,6-8,11H,4-5H2,1H3,(H,13,14);1H2,(H,3,4)