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

Systemtic Name: 7-[[2-(carboxymethylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-8-oxidanylidene-3-[(1-oxidanyl-6-oxidanylidene-pyridazin-3-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(carboxymethylcarbamoylamino)-2-(2-thienyl)acetyl]amino]-3-[(1-hydroxy-6-oxo-pyridazin-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-[[(1-hydroxy-6-oxo-3-pyridazinyl)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-[(1-hydroxy-6-oxopyridazin-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-[[(1-hydroxy-6-keto-pyridazin-3-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H20N6O9S3 MolecularWeight: 596.6133

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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=NN(C(=O)C=C4)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=NN(C(=O)C=C4)O

InChI

InChI=1S/C21H20N6O9S3/c28-12-4-3-11(25-27(12)36)38-7-9-8-39-19-15(18(32)26(19)16(9)20(33)34)23-17(31)14(10-2-1-5-37-10)24-21(35)22-6-13(29)30/h1-5,14-15,19,36H,6-8H2,(H,23,31)(H,29,30)(H,33,34)(H2,22,24,35)