rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS Registry Number®

52128-53-7
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CAS Name

rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula

C17H18N2O7S2

Molecular Mass

426.46

Cite this Page

rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52128-53-7 (retrieved 2024-09-10) (CAS RN: 52128-53-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C17H18N2O7S2/c1-9(20)26-7-10-8-28-16-17(25-2,15(24)19(16)13(10)14(22)23)18-12(21)6-11-4-3-5-27-11/h3-5,16H,6-8H2,1-2H3,(H,18,21)(H,22,23)/t16-,17+/s2

InChIKey

InChIKey=QLTVFUALEDMAKL-LQKAMQBPNA-N

SMILES

N(C(CC1=CC=CS1)=O)[C@@]2(OC)[C@@]3(N(C2=O)C(C(O)=O)=C(COC(C)=O)CS3)[H]

Canonical SMILES

O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2(OC)NC(=O)CC=3SC=CC3

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (6R,7S)-rel-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, cis-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, cis-(±)-
  • rel-(6R,7S)-3-[(Acetyloxy)methyl]-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid