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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11ClF3NO3S
Molecular Weight 377.766
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,2-Trifluoroethyl 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]benzoate

SMILES

CC1=C(C=CO1)C(=S)NC2=CC(C(=O)OCC(F)(F)F)=C(Cl)C=C2

InChI

InChIKey=UQOGDBKXGXIKAS-UHFFFAOYSA-N
InChI=1S/C15H11ClF3NO3S/c1-8-10(4-5-22-8)13(24)20-9-2-3-12(16)11(6-9)14(21)23-7-15(17,18)19/h2-6H,7H2,1H3,(H,20,24)

HIDE SMILES / InChI

Molecular Formula C15H11ClF3NO3S
Molecular Weight 377.766
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:43:41 GMT 2025
Edited
by admin
on Tue Apr 01 19:43:41 GMT 2025
Record UNII
JT3MA6UH4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-639475
Preferred Name English
2,2,2-Trifluoroethyl 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]benzoate
Systematic Name English
Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 2,2,2-trifluoroethyl ester
Systematic Name English
2-Chloro-5-((1-(2-methyl-furan-3-yl)-methanethioyl)-amino)-benzoic acid, 2,2,2-trifluoro-ethyl ester
Common Name English
UC-80
Code English
Code System Code Type Description
NSC
639475
Created by admin on Tue Apr 01 19:43:41 GMT 2025 , Edited by admin on Tue Apr 01 19:43:41 GMT 2025
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CAS
172998-76-4
Created by admin on Tue Apr 01 19:43:41 GMT 2025 , Edited by admin on Tue Apr 01 19:43:41 GMT 2025
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FDA UNII
JT3MA6UH4W
Created by admin on Tue Apr 01 19:43:41 GMT 2025 , Edited by admin on Tue Apr 01 19:43:41 GMT 2025
PRIMARY
PUBCHEM
3000932
Created by admin on Tue Apr 01 19:43:41 GMT 2025 , Edited by admin on Tue Apr 01 19:43:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID30169492
Created by admin on Tue Apr 01 19:43:41 GMT 2025 , Edited by admin on Tue Apr 01 19:43:41 GMT 2025
PRIMARY