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

Systemtic Name: (2-carboxy-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-propan-2-ylidene-azanium bromide Openeye Name: (2-carboxy-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-isopropylidene-ammonium bromide CAS Name: (2-carboxy-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-propan-2-ylideneammonium bromide IUPAC Name: (2-carboxy-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-propan-2-ylideneazanium bromide Traditional Name: (2-carboxy-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-isopropylidene-ammonium bromide Formula: C12H15BrN2O3S MolecularWeight: 347.2281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S.BrH/c1-4-7-5-18-11-8(13-6(2)3)10(15)14(11)9(7)12(16)17;/h4,8,11H,1,5H2,2-3H3,(H,16,17);1H