3-(acetyloxymethyl)-7-azido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid

Systemtic Name: 3-(acetyloxymethyl)-7-azido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid Openeye Name: 3-(acetoxymethyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid CAS Name: 3-(acetyloxymethyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid IUPAC Name: 3-(acetyloxymethyl)-7-azido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid Traditional Name: 3-(acetoxymethyl)-7-azido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid Formula: C9H10N4O6S2 MolecularWeight: 334.3289

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)N=[N+]=[N-])SC1)S(=O)(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)N=[N+]=[N-])SC1)S(=O)(=O)O

InChI

InChI=1S/C9H10N4O6S2/c1-4(14)19-2-5-3-20-8-6(11-12-10)7(15)13(8)9(5)21(16,17)18/h6,8H,2-3H2,1H3,(H,16,17,18)