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

Systemtic Name: [7-(acetyloxymethyl)-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-propan-2-ylidene-azanium chloride Openeye Name: [7-(acetoxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-isopropylidene-ammonium chloride CAS Name: [7-(acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-propan-2-ylideneammonium chloride IUPAC Name: [7-(acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-propan-2-ylideneazanium chloride Traditional Name: [7-(acetoxymethyl)-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-isopropylidene-ammonium chloride Formula: C13H17ClN2O5S MolecularWeight: 348.80248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]C1(C2N(C1=O)C(=CCS2)C(=O)O)COC(=O)C)C.[Cl-]

Isomeric SMILES

CC(=[NH+]C1(C2N(C1=O)C(=CCS2)C(=O)O)COC(=O)C)C.[Cl-]

InChI

InChI=1S/C13H16N2O5S.ClH/c1-7(2)14-13(6-20-8(3)16)11(19)15-9(10(17)18)4-5-21-12(13)15;/h4,12H,5-6H2,1-3H3,(H,17,18);1H