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

Systemtic Name: 3-(2-azidoethylsulfanylmethyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(2-azidoethylsulfanylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(2-azidoethylthio)methyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-azidoethylsulfanylmethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(2-azidoethylthio)methyl]-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H16N4O4S MolecularWeight: 312.34484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-6(17)9-8-4-7(5-21-3-2-14-15-13)10(12(19)20)16(8)11(9)18/h6,8-9,17H,2-5H2,1H3,(H,19,20)