6-bromanyl-3-imidazol-1-yl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-bromanyl-3-imidazol-1-yl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-bromo-3-imidazol-1-yl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-bromo-3-(1-imidazolyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-bromo-3-imidazol-1-yl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-bromo-3-imidazol-1-yl-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C9H5BrN3O3S- MolecularWeight: 315.1233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=C(N3C(S2)C(C3=O)Br)C(=O)[O-]

Isomeric SMILES

C1=CN(C=N1)C2=C(N3C(S2)C(C3=O)Br)C(=O)[O-]

InChI

InChI=1S/C9H6BrN3O3S/c10-4-6(14)13-5(9(15)16)8(17-7(4)13)12-2-1-11-3-12/h1-4,7H,(H,15,16)/p-1