(2-carboxy-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl)-propan-2-ylidene-azanium bromide

Systemtic Name: (2-carboxy-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octan-7-yl)-propan-2-ylidene-azanium bromide Openeye Name: (2-carboxy-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl)-isopropylidene-ammonium bromide CAS Name: (2-carboxy-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl)-propan-2-ylideneammonium bromide IUPAC Name: (2-carboxy-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl)-propan-2-ylideneazanium bromide Traditional Name: (2-carboxy-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octan-7-yl)-isopropylidene-ammonium bromide Formula: C11H15BrN2O3S MolecularWeight: 335.2174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]C1C2N(C1=O)C(C(=C)CS2)C(=O)O)C.[Br-]

Isomeric SMILES

CC(=[NH+]C1C2N(C1=O)C(C(=C)CS2)C(=O)O)C.[Br-]

InChI

InChI=1S/C11H14N2O3S.BrH/c1-5(2)12-7-9(14)13-8(11(15)16)6(3)4-17-10(7)13;/h7-8,10H,3-4H2,1-2H3,(H,15,16);1H