3-[(2-oxidanidyl-6-oxidanylidene-1H-pyridazin-2-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-[(2-oxidanidyl-6-oxidanylidene-1H-pyridazin-2-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-[(2-oxido-6-oxo-1H-pyridazin-2-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-[[(2-oxido-6-oxo-1H-pyridazin-2-ium-3-yl)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-[(2-oxido-6-oxo-1H-pyridazin-2-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-[[(6-keto-2-oxido-1H-pyridazin-2-ium-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H22N8O8S3 MolecularWeight: 622.65388

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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+](NC(=O)C=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+](NC(=O)C=C5)[O-])C(=O)O

InChI

InChI=1S/C22H22N8O8S3/c31-12-3-4-13(30(38)26-12)40-8-10-9-41-19-15(18(33)29(19)16(10)20(34)35)24-17(32)14(11-2-1-7-39-11)25-21(36)27-28-6-5-23-22(28)37/h1-4,7,14-15,19H,5-6,8-9H2,(H,23,37)(H,24,32)(H,26,31)(H,34,35)(H2,25,27,36)