3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-sulfanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-sulfanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-amino-8-oxo-5-thioxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-amino-8-oxo-5-sulfanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-amino-8-oxo-5-sulfanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-amino-8-keto-5-thioxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)N)C(=S)C1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)N)C(=S)C1)C(=O)O

InChI

InChI=1S/C11H12N2O5S/c1-4(14)18-3-5-2-6(19)9-7(12)10(15)13(9)8(5)11(16)17/h7,9H,2-3,12H2,1H3,(H,16,17)