3-[(6-methoxy-1-oxidanidyl-pyridazin-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-[(6-methoxy-1-oxidanidyl-pyridazin-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-[(6-methoxy-1-oxido-pyridazin-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-[[(6-methoxy-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-[(6-methoxy-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-[[(6-methoxy-1-oxido-pyridazin-1-ium-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H24N8O8S3 MolecularWeight: 636.68046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=[N+](N=C(C=C1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CS4)NC(=O)NN5CCNC5=O)SC2)C(=O)O)[O-]

Isomeric SMILES

COC1=[N+](N=C(C=C1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CS4)NC(=O)NN5CCNC5=O)SC2)C(=O)O)[O-]

InChI

InChI=1S/C23H24N8O8S3/c1-39-14-5-4-13(27-31(14)38)41-9-11-10-42-20-16(19(33)30(20)17(11)21(34)35)25-18(32)15(12-3-2-8-40-12)26-22(36)28-29-7-6-24-23(29)37/h2-5,8,15-16,20H,6-7,9-10H2,1H3,(H,24,37)(H,25,32)(H,34,35)(H2,26,28,36)