(6S,7S)-7-[[(2E)-2-(2-Amino-5-Chloro-1,3-Thiazol-4-Yl)-2-Methoxyiminoacetyl]Amino]-3-(Imidazo[3,4-a]Pyridin-4-Ium-2-Ylmethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS 141912-84-7]

Identification

• Name: (6S,7S)-7-[[(2E)-2-(2-Amino-5-Chloro-1,3-Thiazol-4-Yl)-2-Methoxyiminoacetyl]Amino]-3-(Imidazo[3,4-a]Pyridin-4-Ium-2-Ylmethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: (6S,7S)-7-[[(2E)-2-(2-Amino-5-Chloro-Thiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-3-(Imidazo[3,4-A]Pyridin-4-Ium-2-Ylmethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6S,7S)-7-[[(2E)-2-(2-Amino-5-Chloro-4-Thiazolyl)-2-Methoxyimino-1-Oxoethyl]Amino]-3-(2-Imidazo[3,4-A]Pyridin-4-Iumylmethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6S,7S)-7-[[(2E)-2-(2-Amino-5-Chloro-Thiazol-4-Yl)-2-Methoxyimino-Acetyl]Amino]-3-(Imidazo[3,4-A]Pyridin-4-Ium-2-Ylmethyl)-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₂₁H₁₈ClN₇O₅S₂
• Molecular Weight: 547.99
• CAS Registry Number: 141912-84-7
• SMILES: [C@@H]12SCC(=C(N1C(=O)[C@@H]2NC(=O)C(=N/OC)/C3=C(Cl)SC(=N3)N)C([O-])=O)C[N]4C=[N+]5C(=C4)C=CC=C5
• InChI: 1S/C21H18ClN7O5S2/c1-34-26-13(12-16(22)36-21(23)25-12)17(30)24-14-18(31)29-15(20(32)33)10(8-35-19(14)29)6-27-7-11-4-2-3-5-28(11)9-27/h2-5,7,9,14,19H,6,8H2,1H3,(H3-,23,24,25,30,32,33)/b26-13+/t14-,19-/m0/s1
• InChIKey: MGLLCPSQOKQEAM-PNJTVJIISA-N