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

Systemtic Name: 3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid Openeye Name: 3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid CAS Name: 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid IUPAC Name: 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid Traditional Name: 3-(acetoxymethyl)-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-sulfonic acid Formula: C9H12N2O6S2 MolecularWeight: 308.33138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)S(=O)(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)S(=O)(=O)O

InChI

InChI=1S/C9H12N2O6S2/c1-4(12)17-2-5-3-18-8-6(10)7(13)11(8)9(5)19(14,15)16/h6,8H,2-3,10H2,1H3,(H,14,15,16)