3-ethylsulfanyl-7-oxidanylidene-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-ethylsulfanyl-7-oxidanylidene-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-ethylsulfanyl-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(ethylthio)-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-ethylsulfanyl-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(ethylthio)-7-keto-6-(1-sulfoxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C11H14NO7S2- MolecularWeight: 336.36136

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C(C1)C(C2=O)C(C)OS(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCSC1=C(N2C(C1)C(C2=O)C(C)OS(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C11H15NO7S2/c1-3-20-7-4-6-8(5(2)19-21(16,17)18)10(13)12(6)9(7)11(14)15/h5-6,8H,3-4H2,1-2H3,(H,14,15)(H,16,17,18)/p-1