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Details

Stereochemistry ACHIRAL
Molecular Formula C20H24ClNO3S
Molecular Weight 393.927
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methyl-1-(1-methylethyl)propyl 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]benzoate

SMILES

CC(C)C(OC(=O)C1=CC(NC(=S)C2=C(C)OC=C2)=CC=C1Cl)C(C)C

InChI

InChIKey=WAKNHAAZJSALOV-UHFFFAOYSA-N
InChI=1S/C20H24ClNO3S/c1-11(2)18(12(3)4)25-20(23)16-10-14(6-7-17(16)21)22-19(26)15-8-9-24-13(15)5/h6-12,18H,1-5H3,(H,22,26)

HIDE SMILES / InChI

Molecular Formula C20H24ClNO3S
Molecular Weight 393.927
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 Sat Dec 16 12:55:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:00 GMT 2023
Record UNII
MQ4W8T2SEL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Methyl-1-(1-methylethyl)propyl 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]benzoate
Systematic Name English
UC-538
Code English
2-Chloro-5-((1-(2-methyl-furan-3-yl)-methanethioyl)-amino)-benzoic acid, 1-isopropyl-2-methyl-propyl ester
Common Name English
Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester
Systematic Name English
NSC-645548
Code English
Code System Code Type Description
CAS
172998-75-3
Created by admin on Sat Dec 16 12:55:00 GMT 2023 , Edited by admin on Sat Dec 16 12:55:00 GMT 2023
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NSC
645548
Created by admin on Sat Dec 16 12:55:00 GMT 2023 , Edited by admin on Sat Dec 16 12:55:00 GMT 2023
PRIMARY
FDA UNII
MQ4W8T2SEL
Created by admin on Sat Dec 16 12:55:00 GMT 2023 , Edited by admin on Sat Dec 16 12:55:00 GMT 2023
PRIMARY
PUBCHEM
3000901
Created by admin on Sat Dec 16 12:55:00 GMT 2023 , Edited by admin on Sat Dec 16 12:55:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID70169491
Created by admin on Sat Dec 16 12:55:00 GMT 2023 , Edited by admin on Sat Dec 16 12:55:00 GMT 2023
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