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

Systemtic Name: aziridin-2-one; 2-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: aziridin-2-one; 2-(2-methoxy-1-methyl-2-oxo-ethyl)sulfanyl-2-methyl-4-oxo-4-phenyl-butanoic acid CAS Name: 2-aziridinone; 2-[(1-methoxy-1-oxopropan-2-yl)thio]-2-methyl-4-oxo-4-phenylbutanoic acid IUPAC Name: aziridin-2-one; 2-(1-methoxy-1-oxopropan-2-yl)sulfanyl-2-methyl-4-oxo-4-phenylbutanoic acid Traditional Name: ethylenimin-2-one; 4-keto-2-[(2-keto-2-methoxy-1-methyl-ethyl)thio]-2-methyl-4-phenyl-butyric acid Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S.C2H3NO/c1-10(13(17)20-3)21-15(2,14(18)19)9-12(16)11-7-5-4-6-8-11;4-2-1-3-2/h4-8,10H,9H2,1-3H3,(H,18,19);1H2,(H,3,4)