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Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N,N-dimethylacetamide

2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N,N-dimethylacetamide bmse012500 - Data

2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N,N-dimethylacetamide synonyms

Wikipedia:

Graphical representations:

2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N,N-dimethylacetamide

View large 3D structure

Molecular Formula: C12H13ClN2O2S

Natural Isotopic Abundance Mass: 284.76182

Mono-Isotopic Molecular Masses:

  • C12N14: 284.038626346
  • C13N14: 296.0788844020001
  • C12N15: 286.032696132
  • C13N15: 298.07295418800004

InChI string: InChI=1S/C12H13ClN2O2S/c1-15(2)11(16)6-10-12(17)14-8-5-7(13)3-4-9(8)18-10/h3-5,10H,6H2,1-2H3,(H,14,17)/t10-/m1/s1

EU-OPENSCREEN: EOS103274

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)