3-(3-azidopropylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(3-azidopropylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(3-azidopropylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(3-azidopropylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(3-azidopropylsulfonylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(3-azidopropylsulfonylmethyl)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H18N4O6S MolecularWeight: 358.37022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)CS(=O)(=O)CCCN=[N+]=[N-])O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)CS(=O)(=O)CCCN=[N+]=[N-])O

InChI

InChI=1S/C13H18N4O6S/c1-7(18)10-9-5-8(11(13(20)21)17(9)12(10)19)6-24(22,23)4-2-3-15-16-14/h7,9-10,18H,2-6H2,1H3,(H,20,21)