7-methoxy-7-[[2-(2-methylpropylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-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-methoxy-7-[[2-(2-methylpropylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-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-(isobutylcarbamoylamino)-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-methoxy-7-[[2-[[(2-methylpropylamino)-oxomethyl]amino]-1-oxo-2-thiophen-2-ylethyl]amino]-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-methoxy-7-[[2-(2-methylpropylcarbamoylamino)-2-thiophen-2-ylacetyl]amino]-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-(isobutylcarbamoylamino)-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)CNC(=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)CNC(=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/c1-13(2)10-25-23(35)26-17(15-6-5-9-38-15)19(31)27-24(37-3)21(34)30-18(20(32)33)14(12-40-22(24)30)11-39-16-7-4-8-29(36)28-16/h4-9,13,17,22H,10-12H2,1-3H3,(H,27,31)(H,32,33)(H2,25,26,35)