3-[(6-ethyl-2-oxidanidyl-pyridazin-2-ium-3-yl)sulfanylmethyl]-7-[[2-(methoxymethylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(6-ethyl-2-oxidanidyl-pyridazin-2-ium-3-yl)sulfanylmethyl]-7-[[2-(methoxymethylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(6-ethyl-2-oxido-pyridazin-2-ium-3-yl)sulfanylmethyl]-7-[[2-(methoxymethylcarbamoylamino)-2-(2-thienyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(6-ethyl-2-oxido-3-pyridazin-2-iumyl)thio]methyl]-7-[[2-[[(methoxymethylamino)-oxomethyl]amino]-1-oxo-2-thiophen-2-ylethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(6-ethyl-2-oxidopyridazin-2-ium-3-yl)sulfanylmethyl]-7-[[2-(methoxymethylcarbamoylamino)-2-thiophen-2-ylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[(6-ethyl-2-oxido-pyridazin-2-ium-3-yl)thio]methyl]-8-keto-7-[[2-(methoxymethylcarbamoylamino)-2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H26N6O7S3 MolecularWeight: 594.68354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+](=C(C=C1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CS4)NC(=O)NCOC)SC2)C(=O)O)[O-]

Isomeric SMILES

CCC1=N[N+](=C(C=C1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CS4)NC(=O)NCOC)SC2)C(=O)O)[O-]

InChI

InChI=1S/C23H26N6O7S3/c1-3-13-6-7-15(29(35)27-13)38-9-12-10-39-21-17(20(31)28(21)18(12)22(32)33)25-19(30)16(14-5-4-8-37-14)26-23(34)24-11-36-2/h4-8,16-17,21H,3,9-11H2,1-2H3,(H,25,30)(H,32,33)(H2,24,26,34)