7-[[2-(carboxymethylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-3-[(6-chloranyl-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-chloranyl-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-chloro-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-chloro-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-chloro-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-chloro-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: C21H19ClN6O8S3 MolecularWeight: 615.05896

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CS3)NC(=O)NCC(=O)O)C(=O)O)CSC4=[N+](N=C(C=C4)Cl)[O-]

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CS3)NC(=O)NCC(=O)O)C(=O)O)CSC4=[N+](N=C(C=C4)Cl)[O-]

InChI

InChI=1S/C21H19ClN6O8S3/c22-11-3-4-12(28(36)26-11)38-7-9-8-39-19-15(18(32)27(19)16(9)20(33)34)24-17(31)14(10-2-1-5-37-10)25-21(35)23-6-13(29)30/h1-5,14-15,19H,6-8H2,(H,24,31)(H,29,30)(H,33,34)(H2,23,25,35)