aziridin-2-one; 2-methyl-4-oxidanylidene-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-4-phenyl-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O5S.C2H3NO/c1-9(12(16)17)20-14(2,13(18)19)8-11(15)10-6-4-3-5-7-10;4-2-1-3-2/h3-7,9H,8H2,1-2H3,(H,16,17)(H,18,19);1H2,(H,3,4)