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

Systemtic Name: 7-[[2-(methoxymethylcarbamoylamino)-2-thiophen-2-yl-ethanoyl]amino]-3-[(6-methoxy-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(methoxymethylcarbamoylamino)-2-(2-thienyl)acetyl]amino]-3-[(6-methoxy-1-oxido-pyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[[(methoxymethylamino)-oxomethyl]amino]-1-oxo-2-thiophen-2-ylethyl]amino]-3-[[(6-methoxy-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-(methoxymethylcarbamoylamino)-2-thiophen-2-ylacetyl]amino]-3-[(6-methoxy-1-oxidopyridazin-1-ium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[2-(methoxymethylcarbamoylamino)-2-(2-thienyl)acetyl]amino]-3-[[(6-methoxy-1-oxido-pyridazin-1-ium-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H24N6O8S3 MolecularWeight: 596.65636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCNC(=O)NC(C1=CC=CS1)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=N[N+](=C(C=C4)OC)[O-])C(=O)O

Isomeric SMILES

COCNC(=O)NC(C1=CC=CS1)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=N[N+](=C(C=C4)OC)[O-])C(=O)O

InChI

InChI=1S/C22H24N6O8S3/c1-35-10-23-22(33)25-15(12-4-3-7-37-12)18(29)24-16-19(30)27-17(21(31)32)11(9-39-20(16)27)8-38-13-5-6-14(36-2)28(34)26-13/h3-7,15-16,20H,8-10H2,1-2H3,(H,24,29)(H,31,32)(H2,23,25,33)