aziridin-2-one; 2-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-2-methyl-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: aziridin-2-one; 2-(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanyl-2-methyl-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: aziridin-2-one; 2-(2-methoxy-1-methyl-2-oxo-ethyl)sulfanyl-2-methyl-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 2-aziridinone; 2-[(1-methoxy-1-oxopropan-2-yl)thio]-2-methyl-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: aziridin-2-one; 2-(1-methoxy-1-oxopropan-2-yl)sulfanyl-2-methyl-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: ethylenimin-2-one; 4-keto-2-[(2-keto-2-methoxy-1-methyl-ethyl)thio]-2-methyl-4-(3-pyridyl)butyric acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S.C2H3NO/c1-9(12(17)20-3)21-14(2,13(18)19)7-11(16)10-5-4-6-15-8-10;4-2-1-3-2/h4-6,8-9H,7H2,1-3H3,(H,18,19);1H2,(H,3,4)