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

Systemtic Name: aziridin-2-one; 4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-phenyl-butanoic acid Openeye Name: aziridin-2-one; 3-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-4-phenyl-butanoic acid CAS Name: 2-aziridinone; 3-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-4-oxo-4-phenylbutanoic acid IUPAC Name: aziridin-2-one; 3-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-4-oxo-4-phenylbutanoic acid Traditional Name: ethylenimin-2-one; 3-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-4-keto-4-phenyl-butyric acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O5S.C2H3NO/c1-9(14(18)19)20-8-11(7-12(15)16)13(17)10-5-3-2-4-6-10;4-2-1-3-2/h2-6,9,11H,7-8H2,1H3,(H,15,16)(H,18,19);1H2,(H,3,4)