7-[[(2E)-2-(5-azanyl-1,2,4-oxadiazol-3-yl)-2-(ethylcarbamoyloxyimino)ethanoyl]amino]-8-oxidanylidene-3-(thieno[2,3-b]pyridin-7-ium-7-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-(ethylcarbamoyloxyimino)ethanoyl]amino]-8-oxidanylidene-3-(thieno[2,3-b]pyridin-7-ium-7-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-(ethylcarbamoyloxyimino)acetyl]amino]-8-oxo-3-(thieno[2,3-b]pyridin-7-ium-7-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-(ethylcarbamoyloxyimino)-1-oxoethyl]amino]-8-oxo-3-(7-thieno[2,3-b]pyridin-7-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-(ethylcarbamoyloxyimino)acetyl]amino]-8-oxo-3-(thieno[2,3-b]pyridin-7-ium-7-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-(ethylcarbamoyloximino)acetyl]amino]-8-keto-3-(thieno[2,3-b]pyridin-7-ium-7-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H21N8O7S2+ MolecularWeight: 573.58154

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)ON=C(C1=NOC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4SC=C5)C(=O)O

Isomeric SMILES

CCNC(=O)O/N=C(\C1=NOC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4SC=C5)C(=O)O

InChI

InChI=1S/C22H20N8O7S2/c1-2-24-22(35)37-27-12(15-26-21(23)36-28-15)16(31)25-13-17(32)30-14(20(33)34)11(9-39-19(13)30)8-29-6-3-4-10-5-7-38-18(10)29/h3-7,13,19H,2,8-9H2,1H3,(H4-,23,24,25,26,28,31,33,34,35)/p+1/b27-12+