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

Systemtic Name: aziridin-2-one; 3-[(1-methoxy-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: aziridin-2-one; 3-[(2-methoxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 2-aziridinone; 3-[[(1-methoxy-1-oxopropan-2-yl)thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: aziridin-2-one; 3-[(1-methoxy-1-oxopropan-2-yl)sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: ethylenimin-2-one; 4-keto-3-[[(2-keto-2-methoxy-1-methyl-ethyl)thio]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)SCC(CC(=O)O)C(=O)C1=CN=CC=C1.C1C(=O)N1

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S.C2H3NO/c1-9(14(19)20-2)21-8-11(6-12(16)17)13(18)10-4-3-5-15-7-10;4-2-1-3-2/h3-5,7,9,11H,6,8H2,1-2H3,(H,16,17);1H2,(H,3,4)