7-azanyl-8-oxidanylidene-3-[(1-oxidanylidenethiolan-3-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(1-oxidanylidenethiolan-3-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-[(1-oxothiolan-3-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[[(1-oxo-3-thiolanyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-[(1-oxothiolan-3-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[(1-ketothiolan-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H16N2O4S3 MolecularWeight: 348.46144

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)CC1SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

C1CS(=O)CC1SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C12H16N2O4S3/c13-8-10(15)14-9(12(16)17)6(4-20-11(8)14)3-19-7-1-2-21(18)5-7/h7-8,11H,1-5,13H2,(H,16,17)