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

Systemtic Name: 7-[[2-(carboxymethylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-3-[(6-ethyl-2-oxidanidyl-pyridazin-2-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(carboxymethylcarbamoylamino)-2-(2-thienyl)acetyl]amino]-3-[(6-ethyl-2-oxido-pyridazin-2-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[[(carboxymethylamino)-oxomethyl]amino]-1-oxo-2-thiophen-2-ylethyl]amino]-3-[[(6-ethyl-2-oxido-3-pyridazin-2-iumyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(carboxymethylcarbamoylamino)-2-thiophen-2-ylacetyl]amino]-3-[(6-ethyl-2-oxidopyridazin-2-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(carboxymethylcarbamoylamino)-2-(2-thienyl)acetyl]amino]-3-[[(6-ethyl-2-oxido-pyridazin-2-ium-3-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H24N6O8S3 MolecularWeight: 608.66706

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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)NCC(=O)O)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)NCC(=O)O)SC2)C(=O)O)[O-]

InChI

InChI=1S/C23H24N6O8S3/c1-2-12-5-6-14(29(37)27-12)39-9-11-10-40-21-17(20(33)28(21)18(11)22(34)35)25-19(32)16(13-4-3-7-38-13)26-23(36)24-8-15(30)31/h3-7,16-17,21H,2,8-10H2,1H3,(H,25,32)(H,30,31)(H,34,35)(H2,24,26,36)