3-[(6-chloranyl-2-oxidanidyl-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-[(6-chloranyl-2-oxidanidyl-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-[(6-chloro-2-oxido-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-[[(6-chloro-2-oxido-3-pyridazin-2-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-[(6-chloro-2-oxidopyridazin-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: 3-[[(6-chloro-2-oxido-pyridazin-2-ium-3-yl)thio]methyl]-8-keto-7-[[2-[(2-ketoimidazolidin-1-yl)carbamoylamino]-2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H21ClN8O7S3 MolecularWeight: 641.09954

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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=C(C=C5)Cl)[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=C(C=C5)Cl)[O-])C(=O)O

InChI

InChI=1S/C22H21ClN8O7S3/c23-12-3-4-13(31(38)27-12)40-8-10-9-41-19-15(18(33)30(19)16(10)20(34)35)25-17(32)14(11-2-1-7-39-11)26-21(36)28-29-6-5-24-22(29)37/h1-4,7,14-15,19H,5-6,8-9H2,(H,24,37)(H,25,32)(H,34,35)(H2,26,28,36)