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

Systemtic Name: aziridin-2-one; 4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-pyridin-4-yl-butanoic acid Openeye Name: aziridin-2-one; 3-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-4-(4-pyridyl)butanoic acid CAS Name: 2-aziridinone; 3-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-4-oxo-4-pyridin-4-ylbutanoic acid IUPAC Name: aziridin-2-one; 3-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-4-oxo-4-pyridin-4-ylbutanoic acid Traditional Name: ethylenimin-2-one; 3-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-4-keto-4-(4-pyridyl)butyric acid Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S.C2H3NO/c1-8(13(18)19)20-7-10(6-11(15)16)12(17)9-2-4-14-5-3-9;4-2-1-3-2/h2-5,8,10H,6-7H2,1H3,(H,15,16)(H,18,19);1H2,(H,3,4)