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

Systemtic Name: [3-(acetyloxymethyl)-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylidene-azanium bromide Openeye Name: [3-(acetoxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylidene-ammonium bromide CAS Name: [3-(acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylideneammonium bromide IUPAC Name: [3-(acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylideneazanium bromide Traditional Name: [3-(acetoxymethyl)-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-cyclohexylidene-ammonium bromide Formula: C16H21BrN2O5S MolecularWeight: 433.31734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)[NH+]=C3CCCCC3)SC1)C(=O)O.[Br-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)[NH+]=C3CCCCC3)SC1)C(=O)O.[Br-]

InChI

InChI=1S/C16H20N2O5S.BrH/c1-9(19)23-7-10-8-24-15-12(17-11-5-3-2-4-6-11)14(20)18(15)13(10)16(21)22;/h12,15H,2-8H2,1H3,(H,21,22);1H