aziridin-2-one; 4-(furan-3-yl)-4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]butanoic acid

Systemtic Name: aziridin-2-one; 4-(furan-3-yl)-4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]butanoic acid Openeye Name: aziridin-2-one; 4-(3-furyl)-3-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-butanoic acid CAS Name: 2-aziridinone; 4-(3-furanyl)-3-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-4-oxobutanoic acid IUPAC Name: aziridin-2-one; 4-(furan-3-yl)-3-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-4-oxobutanoic acid Traditional Name: ethylenimin-2-one; 4-(3-furyl)-3-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-4-keto-butyric acid Formula: C14H17NO7S MolecularWeight: 343.35228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(CC(=O)O)C(=O)C1=COC=C1.C1C(=O)N1

Isomeric SMILES

CC(C(=O)O)SCC(CC(=O)O)C(=O)C1=COC=C1.C1C(=O)N1

InChI

InChI=1S/C12H14O6S.C2H3NO/c1-7(12(16)17)19-6-9(4-10(13)14)11(15)8-2-3-18-5-8;4-2-1-3-2/h2-3,5,7,9H,4,6H2,1H3,(H,13,14)(H,16,17);1H2,(H,3,4)