aziridin-2-one; 3-methyl-4-oxidanylidene-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-cyclopent-2-ene-1-carboxylic acid

Systemtic Name: aziridin-2-one; 3-methyl-4-oxidanylidene-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-cyclopent-2-ene-1-carboxylic acid Openeye Name: aziridin-2-one; 2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-3-methyl-4-oxo-cyclopent-2-ene-1-carboxylic acid CAS Name: 2-aziridinone; 2-[(1-hydroxy-1-oxopropan-2-yl)thio]-3-methyl-4-oxo-1-cyclopent-2-enecarboxylic acid IUPAC Name: aziridin-2-one; 2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-3-methyl-4-oxocyclopent-2-ene-1-carboxylic acid Traditional Name: ethylenimin-2-one; 2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-4-keto-3-methyl-cyclopent-2-ene-1-carboxylic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC1=O)C(=O)O)SC(C)C(=O)O.C1C(=O)N1

Isomeric SMILES

CC1=C(C(CC1=O)C(=O)O)SC(C)C(=O)O.C1C(=O)N1

InChI

InChI=1S/C10H12O5S.C2H3NO/c1-4-7(11)3-6(10(14)15)8(4)16-5(2)9(12)13;4-2-1-3-2/h5-6H,3H2,1-2H3,(H,12,13)(H,14,15);1H2,(H,3,4)