7-[[(2E)-2-(5-azanyl-1,2,4-oxadiazol-3-yl)-2-(2-ethoxy-2-oxidanylidene-ethoxy)imino-ethanoyl]amino]-8-oxidanylidene-3-(thieno[3,2-b]pyridin-4-ium-4-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-oxadiazol-3-yl)-2-(2-ethoxy-2-oxidanylidene-ethoxy)imino-ethanoyl]amino]-8-oxidanylidene-3-(thieno[3,2-b]pyridin-4-ium-4-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-(2-ethoxy-2-oxo-ethoxy)imino-acetyl]amino]-8-oxo-3-(thieno[3,2-b]pyridin-4-ium-4-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-(2-ethoxy-2-oxoethoxy)imino-1-oxoethyl]amino]-8-oxo-3-(4-thieno[3,2-b]pyridin-4-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-(2-ethoxy-2-oxoethoxy)iminoacetyl]amino]-8-oxo-3-(thieno[3,2-b]pyridin-4-ium-4-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-(2-ethoxy-2-keto-ethyl)oximino-acetyl]amino]-8-keto-3-(thieno[3,2-b]pyridin-4-ium-4-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H22N7O8S2+ MolecularWeight: 588.59288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CON=C(C1=NOC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4C=CS5)C(=O)O

Isomeric SMILES

CCOC(=O)CO/N=C(\C1=NOC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4C=CS5)C(=O)O

InChI

InChI=1S/C23H21N7O8S2/c1-2-36-14(31)9-37-27-15(18-26-23(24)38-28-18)19(32)25-16-20(33)30-17(22(34)35)11(10-40-21(16)30)8-29-6-3-4-13-12(29)5-7-39-13/h3-7,16,21H,2,8-10H2,1H3,(H3-,24,25,26,28,32,34,35)/p+1/b27-15+