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

Systemtic Name: sodium 3-(2-azaniumylethylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(2-azaniumylethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(2-ammonioethylthio)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(2-azaniumylethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(2-ammonioethylthio)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C11H16N2NaO4S+ MolecularWeight: 295.31051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O4S.Na/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15;/h5-6,8,14H,2-4,12H2,1H3,(H,16,17);/q;+1