7-[[(2E)-2-(5-azanyl-1,2,4-oxadiazol-3-yl)-2-(1-carboxycyclopentyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(thieno[2,3-c]pyridin-6-ium-6-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-(1-carboxycyclopentyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(thieno[2,3-c]pyridin-6-ium-6-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-(1-carboxycyclopentoxy)imino-acetyl]amino]-8-oxo-3-(thieno[2,3-c]pyridin-6-ium-6-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-(1-carboxycyclopentyl)oxyimino-1-oxoethyl]amino]-8-oxo-3-(6-thieno[2,3-c]pyridin-6-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-(1-carboxycyclopentyl)oxyiminoacetyl]amino]-8-oxo-3-(thieno[2,3-c]pyridin-6-ium-6-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-(1-carboxycyclopentyl)oximino-acetyl]amino]-8-keto-3-(thieno[2,3-c]pyridin-6-ium-6-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H24N7O8S2+ MolecularWeight: 614.63016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)ON=C(C2=NOC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)C[N+]5=CC6=C(C=C5)C=CS6)C(=O)O

Isomeric SMILES

C1CCC(C1)(C(=O)O)O/N=C(\C2=NOC(=N2)N)/C(=O)NC3C4N(C3=O)C(=C(CS4)C[N+]5=CC6=C(C=C5)C=CS6)C(=O)O

InChI

InChI=1S/C25H23N7O8S2/c26-24-28-18(30-39-24)15(29-40-25(23(37)38)5-1-2-6-25)19(33)27-16-20(34)32-17(22(35)36)13(11-42-21(16)32)9-31-7-3-12-4-8-41-14(12)10-31/h3-4,7-8,10,16,21H,1-2,5-6,9,11H2,(H4-,26,27,28,30,33,35,36,37,38)/p+1/b29-15+