7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[oxidanyl-(3-oxidanyl-4-oxidanylidene-3H-pyridin-6-yl)methoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-(3-oxidanyl-3-oxidanylidene-1-pyridin-1-ium-1-ylsulfanyl-propyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[oxidanyl-(3-oxidanyl-4-oxidanylidene-3H-pyridin-6-yl)methoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-(3-oxidanyl-3-oxidanylidene-1-pyridin-1-ium-1-ylsulfanyl-propyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]imino-acetyl]amino]-3-(3-hydroxy-3-oxo-1-pyridin-1-ium-1-ylsulfanyl-propyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]imino-1-oxoethyl]amino]-3-[3-hydroxy-3-oxo-1-(1-pyridin-1-iumylthio)propyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-oxo-3H-pyridin-6-yl)methoxy]iminoacetyl]amino]-3-(3-hydroxy-3-oxo-1-pyridin-1-ium-1-ylsulfanylpropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[hydroxy-(3-hydroxy-4-keto-3H-pyridin-6-yl)methyl]oximino-acetyl]amino]-3-[3-hydroxy-3-keto-1-(pyridin-1-ium-1-ylthio)propyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C26H23N7O10S3 MolecularWeight: 689.69672

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOC(C3=CC(=O)C(C=N3)O)O)C4=CSC(=N4)N)C(=O)[O-])C(CC(=O)O)S[N+]5=CC=CC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OC(C3=CC(=O)C(C=N3)O)O)/C4=CSC(=N4)N)C(=O)[O-])C(CC(=O)O)S[N+]5=CC=CC=C5

InChI

InChI=1S/C26H23N7O10S3/c27-26-29-13(10-45-26)18(31-43-25(42)12-6-14(34)15(35)8-28-12)21(38)30-19-22(39)33-20(24(40)41)11(9-44-23(19)33)16(7-17(36)37)46-32-4-2-1-3-5-32/h1-6,8,10,15-16,19,23,25,35,42H,7,9H2,(H4-,27,29,30,36,37,38,40,41)/b31-18+