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

Systemtic Name: 3-(2-azaniumylethylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(2-azaniumylethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(2-ammonioethylthio)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(2-azaniumylethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(2-ammonioethylthio)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C22H32N4O8S2 MolecularWeight: 544.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SCC[NH3+])O.CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SCC[NH3+])O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SCC[NH3+])O.CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SCC[NH3+])O

InChI

InChI=1S/2C11H16N2O4S/c2*1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15/h2*5-6,8,14H,2-4,12H2,1H3,(H,16,17)