3-ethoxycarbonyl-8-oxidanylidene-7-(trifluoromethylsulfonylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-ethoxycarbonyl-8-oxidanylidene-7-(trifluoromethylsulfonylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-ethoxycarbonyl-8-oxo-7-(trifluoromethylsulfonylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-ethoxycarbonyl-8-oxo-7-(trifluoromethylsulfonylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-8-oxo-7-(trifluoromethylsulfonylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-carbethoxy-8-keto-7-(triflylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H13F3N2O7S MolecularWeight: 386.30103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(CC1)C(C2=O)NS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N2C(CC1)C(C2=O)NS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H13F3N2O7S/c1-2-24-11(21)5-3-4-6-7(16-25(22,23)12(13,14)15)9(18)17(6)8(5)10(19)20/h6-7,16H,2-4H2,1H3,(H,19,20)