aziridin-2-one; 4-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]cyclopent-2-ene-1-carboxylic acid

Systemtic Name: aziridin-2-one; 4-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]cyclopent-2-ene-1-carboxylic acid Openeye Name: aziridin-2-one; 5-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-cyclopent-2-ene-1-carboxylic acid CAS Name: 2-aziridinone; 5-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-4-oxo-1-cyclopent-2-enecarboxylic acid IUPAC Name: aziridin-2-one; 5-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-4-oxocyclopent-2-ene-1-carboxylic acid Traditional Name: ethylenimin-2-one; 5-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-4-keto-cyclopent-2-ene-1-carboxylic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O5S.C2H3NO/c1-5(9(12)13)16-4-7-6(10(14)15)2-3-8(7)11;4-2-1-3-2/h2-3,5-7H,4H2,1H3,(H,12,13)(H,14,15);1H2,(H,3,4)