3-[(1-oxidanidylpyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-[(2-oxidanylideneimidazolidin-1-yl)carbamoylamino]-2-thiophen-2-yl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(1-oxidanidylpyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-[(2-oxidanylideneimidazolidin-1-yl)carbamoylamino]-2-thiophen-2-yl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1-oxidopyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-7-[[2-[(2-oxoimidazolidin-1-yl)carbamoylamino]-2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(1-oxido-3-pyridazin-1-iumyl)thio]methyl]-8-oxo-7-[[1-oxo-2-[[oxo-[(2-oxo-1-imidazolidinyl)amino]methyl]amino]-2-thiophen-2-ylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(1-oxidopyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-7-[[2-[(2-oxoimidazolidin-1-yl)carbamoylamino]-2-thiophen-2-ylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[2-[(2-ketoimidazolidin-1-yl)carbamoylamino]-2-(2-thienyl)acetyl]amino]-3-[[(1-oxidopyridazin-1-ium-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H22N8O7S3 MolecularWeight: 606.65448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)NC(=O)NC(C2=CC=CS2)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=N[N+](=CC=C5)[O-])C(=O)O

Isomeric SMILES

C1CN(C(=O)N1)NC(=O)NC(C2=CC=CS2)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=N[N+](=CC=C5)[O-])C(=O)O

InChI

InChI=1S/C22H22N8O7S3/c31-17(14(12-3-2-8-38-12)25-21(35)27-28-7-5-23-22(28)36)24-15-18(32)30-16(20(33)34)11(10-40-19(15)30)9-39-13-4-1-6-29(37)26-13/h1-4,6,8,14-15,19H,5,7,9-10H2,(H,23,36)(H,24,31)(H,33,34)(H2,25,27,35)