3-(bromomethyl)-8-oxidanylidene-7-(propan-2-ylideneamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(bromomethyl)-8-oxidanylidene-7-(propan-2-ylideneamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(bromomethyl)-7-(isopropylideneamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(bromomethyl)-8-oxo-7-(propan-2-ylideneamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(bromomethyl)-8-oxo-7-(propan-2-ylideneamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(bromomethyl)-7-(isopropylideneamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H13BrN2O3S MolecularWeight: 333.20152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1C2N(C1=O)C(=C(CS2)CBr)C(=O)O)C

Isomeric SMILES

CC(=NC1C2N(C1=O)C(=C(CS2)CBr)C(=O)O)C

InChI

InChI=1S/C11H13BrN2O3S/c1-5(2)13-7-9(15)14-8(11(16)17)6(3-12)4-18-10(7)14/h7,10H,3-4H2,1-2H3,(H,16,17)