methyl 7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 2-oxidanylidene-2-pyrrolidin-3-yloxy-ethaneperoxoic acid

Systemtic Name: methyl 7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 2-oxidanylidene-2-pyrrolidin-3-yloxy-ethaneperoxoic acid Openeye Name: methyl 7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 2-oxo-2-pyrrolidin-3-yloxy-peroxyacetic acid CAS Name: 2-oxo-2-(3-pyrrolidinyloxy)ethaneperoxoic acid; 7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; 2-oxo-2-pyrrolidin-3-yloxyethaneperoxoic acid Traditional Name: 2-keto-2-pyrrolidin-3-yloxy-peracetic acid; 7-keto-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid methyl ester Formula: C18H25N3O8S MolecularWeight: 443.4714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCC2N1C(=O)C2SC3CCNC3.C1CNCC1OC(=O)C(=O)OO

Isomeric SMILES

COC(=O)C1=CCC2N1C(=O)C2SC3CCNC3.C1CNCC1OC(=O)C(=O)OO

InChI

InChI=1S/C12H16N2O3S.C6H9NO5/c1-17-12(16)9-3-2-8-10(11(15)14(8)9)18-7-4-5-13-6-7;8-5(6(9)12-10)11-4-1-2-7-3-4/h3,7-8,10,13H,2,4-6H2,1H3;4,7,10H,1-3H2