7-[[(2E)-2-(5-azanyl-1,2-oxazol-3-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-8-oxidanylidene-3-(thieno[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2-oxazol-3-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-8-oxidanylidene-3-(thieno[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-aminoisoxazol-3-yl)-2-(carboxymethyloxyimino)acetyl]amino]-8-oxo-3-(thieno[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-3-isoxazolyl)-2-(carboxymethyloxyimino)-1-oxoethyl]amino]-8-oxo-3-(5-thieno[3,2-c]pyridin-5-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2-oxazol-3-yl)-2-(carboxymethyloxyimino)acetyl]amino]-8-oxo-3-(thieno[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-aminoisoxazol-3-yl)-2-(carboxymethyloximino)acetyl]amino]-8-keto-3-(thieno[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H19N6O8S2+ MolecularWeight: 559.55166

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCC(=O)O)C3=NOC(=C3)N)C(=O)O)C[N+]4=CC5=C(C=C4)SC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OCC(=O)O)/C3=NOC(=C3)N)C(=O)O)C[N+]4=CC5=C(C=C4)SC=C5

InChI

InChI=1S/C22H18N6O8S2/c23-14-5-12(25-36-14)16(26-35-8-15(29)30)19(31)24-17-20(32)28-18(22(33)34)11(9-38-21(17)28)7-27-3-1-13-10(6-27)2-4-37-13/h1-6,17,21H,7-9H2,(H4-,23,24,25,29,30,31,33,34)/p+1/b26-16+