aziridin-2-one; 5-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-5-phenyl-pentanoic acid

Systemtic Name: aziridin-2-one; 5-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-5-phenyl-pentanoic acid Openeye Name: aziridin-2-one; 4-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-5-oxo-5-phenyl-pentanoic acid CAS Name: 2-aziridinone; 4-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-5-oxo-5-phenylpentanoic acid IUPAC Name: aziridin-2-one; 4-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-5-oxo-5-phenylpentanoic acid Traditional Name: ethylenimin-2-one; 4-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-5-keto-5-phenyl-valeric acid Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S.C2H3NO/c1-10(15(19)20)21-9-12(7-8-13(16)17)14(18)11-5-3-2-4-6-11;4-2-1-3-2/h2-6,10,12H,7-9H2,1H3,(H,16,17)(H,19,20);1H2,(H,3,4)