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

Systemtic Name: 3-methylsulfanyl-7-oxidanylidene-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-methylsulfanyl-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(methylthio)-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-methylsulfanyl-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(methylthio)-6-(1-sulfoxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C10H12NO7S2- MolecularWeight: 322.33478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SC)OS(=O)(=O)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SC)OS(=O)(=O)O

InChI

InChI=1S/C10H13NO7S2/c1-4(18-20(15,16)17)7-5-3-6(19-2)8(10(13)14)11(5)9(7)12/h4-5,7H,3H2,1-2H3,(H,13,14)(H,15,16,17)/p-1