4-(bromomethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 4-(bromomethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 4-(bromomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-(bromomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 4-(bromomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-(bromomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C8H7BrNO3S- MolecularWeight: 277.11508

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CC(S2)CBr)C(=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=CC(S2)CBr)C(=O)[O-]

InChI

InChI=1S/C8H8BrNO3S/c9-3-4-1-5(8(12)13)10-6(11)2-7(10)14-4/h1,4,7H,2-3H2,(H,12,13)/p-1