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Home> Encyclopedia > Hot Product Listed 5   > 5-Heptenoic acid,7-[(1S,2R,3S,4R)-3-[(1E,3S,4R)-3-hydroxy-4-phenyl-1-penten-1-yl]-7-oxabicyclo[2.2.1...
1224165-69-8 structure

5-Heptenoic acid,7-[(1S,2R,3S,4R)-3-[(1E,3S,4R)-3-hydroxy-4-phenyl-1-penten-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl]-,(5Z)-

Iupac Name:N-[2-(methanesulfonamido)ethyl]-1,3-benzothiazole-2-carboxamide
CAS No.:1224165-69-8
Molecular Weight:299.363
Molecular Formula:C10H20O2 (isomer)
Names and Identifiers
Synonyms

5-Heptenoic acid,7-[3-(3-hydroxy-4-phenyl-1-pentenyl)-7-oxabicyclo[2.2.1]hept-2-yl]-, [1S-[1a,2a(Z),3a(1E,3R*,4S*),4a]]- 5-Heptenoicacid, 7-[(1S,2R,3S,4R)-3-[(1E,3S,4R)-3-hydroxy-4-phenyl-1-pentenyl]-7-oxabicyclo[2.2.1]hept-2-yl]-,(5Z)- (9CI) 7-Oxabicyclo[2.2.1]heptane, 5-heptenoic acid deriv. SQ 28989

Inchi
InChI=1S/C11H13N3O3S2/c1-19(16,17)13-7-6-12-10(15)11-14-8-4-2-3-5-9(8)18-11/h2-5,13H,6-7H2,1H3,(H,12,15)
InChkey
DPYSTBRXTIZERV-UHFFFAOYSA-N
Canonical Smiles
CS(=O)(=O)NCCNC(=O)C1=NC2=CC=CC=C2S1
Properties
Density
1.74
Flash Point
155.3°C
Computational chemical data
  • Molecular Weight:299.363g/mol
  • Molecular Formula:C10H20O2
  • Compound Is Canonicalized:True
  • Exact Mass:299.04
  • Monoisotopic Mass:299.04
  • Complexity:421
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:125A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMABgAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgQQQAAACAjB1gSywbLIEAqs ASVyVHCD8KBjCjhImLy4ZJgIYKLgkbGUIAhglgDoyAcQAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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