7-[[2-(tert-butylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-7-methoxy-3-[(1-oxidanidylpyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-(tert-butylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-7-methoxy-3-[(1-oxidanidylpyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(tert-butylcarbamoylamino)-2-(2-thienyl)acetyl]amino]-7-methoxy-3-[(1-oxidopyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[[(tert-butylamino)-oxomethyl]amino]-1-oxo-2-thiophen-2-ylethyl]amino]-7-methoxy-3-[[(1-oxido-3-pyridazin-1-iumyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(tert-butylcarbamoylamino)-2-thiophen-2-ylacetyl]amino]-7-methoxy-3-[(1-oxidopyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(tert-butylcarbamoylamino)-2-(2-thienyl)acetyl]amino]-8-keto-7-methoxy-3-[[(1-oxidopyridazin-1-ium-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H28N6O7S3 MolecularWeight: 608.71012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(C1=CC=CS1)C(=O)NC2(C3N(C2=O)C(=C(CS3)CSC4=N[N+](=CC=C4)[O-])C(=O)O)OC

Isomeric SMILES

CC(C)(C)NC(=O)NC(C1=CC=CS1)C(=O)NC2(C3N(C2=O)C(=C(CS3)CSC4=N[N+](=CC=C4)[O-])C(=O)O)OC

InChI

InChI=1S/C24H28N6O7S3/c1-23(2,3)27-22(35)25-16(14-7-6-10-38-14)18(31)26-24(37-4)20(34)30-17(19(32)33)13(12-40-21(24)30)11-39-15-8-5-9-29(36)28-15/h5-10,16,21H,11-12H2,1-4H3,(H,26,31)(H,32,33)(H2,25,27,35)