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

Systemtic Name: [3-(1-bromoethyl)-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-propan-2-ylidene-azanium bromide Openeye Name: [3-(1-bromoethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-isopropylidene-ammonium bromide CAS Name: [3-(1-bromoethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-propan-2-ylideneammonium bromide IUPAC Name: [3-(1-bromoethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-propan-2-ylideneazanium bromide Traditional Name: [3-(1-bromoethyl)-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-isopropylidene-ammonium bromide Formula: C12H16Br2N2O3S MolecularWeight: 428.14004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N2C(C(C2=O)[NH+]=C(C)C)SC1)C(=O)O)Br.[Br-]

Isomeric SMILES

CC(C1=C(N2C(C(C2=O)[NH+]=C(C)C)SC1)C(=O)O)Br.[Br-]

InChI

InChI=1S/C12H15BrN2O3S.BrH/c1-5(2)14-8-10(16)15-9(12(17)18)7(6(3)13)4-19-11(8)15;/h6,8,11H,4H2,1-3H3,(H,17,18);1H