3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-sulfamoylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-sulfamoylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[(2-sulfamoylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[(1-oxo-2-sulfamoylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[(2-sulfamoylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-7-[(2-sulfamoylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H15N7O6S3 MolecularWeight: 449.4858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CS(=O)(=O)N)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CS(=O)(=O)N)SC2)C(=O)O

InChI

InChI=1S/C12H15N7O6S3/c1-18-12(15-16-17-18)27-3-5-2-26-10-7(14-6(20)4-28(13,24)25)9(21)19(10)8(5)11(22)23/h7,10H,2-4H2,1H3,(H,14,20)(H,22,23)(H2,13,24,25)