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Details

Stereochemistry RACEMIC
Molecular Formula C20H20F3NO4S
Molecular Weight 427.437
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHOXY-.ALPHA.-(METHYLTHIO)-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)BENZENEPROPANOIC ACID

SMILES

COC1=C(C=C(CC(SC)C(O)=O)C=C1)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

InChI

InChIKey=MHFJPNQXKJETTQ-UHFFFAOYSA-N
InChI=1S/C20H20F3NO4S/c1-28-16-8-5-13(10-17(29-2)19(26)27)9-15(16)18(25)24-11-12-3-6-14(7-4-12)20(21,22)23/h3-9,17H,10-11H2,1-2H3,(H,24,25)(H,26,27)

HIDE SMILES / InChI

Molecular Formula C20H20F3NO4S
Molecular Weight 427.437
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:08:54 GMT 2025
Edited
by admin
on Wed Apr 02 08:08:54 GMT 2025
Record UNII
SAJ850V1D7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MK 767 METABOLITE M15
Preferred Name English
4-METHOXY-.ALPHA.-(METHYLTHIO)-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)BENZENEPROPANOIC ACID
Systematic Name English
BENZENEPROPANOIC ACID, 4-METHOXY-.ALPHA.-(METHYLTHIO)-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
SAJ850V1D7
Created by admin on Wed Apr 02 08:08:54 GMT 2025 , Edited by admin on Wed Apr 02 08:08:54 GMT 2025
PRIMARY
PUBCHEM
9802598
Created by admin on Wed Apr 02 08:08:54 GMT 2025 , Edited by admin on Wed Apr 02 08:08:54 GMT 2025
PRIMARY
CAS
330861-64-8
Created by admin on Wed Apr 02 08:08:54 GMT 2025 , Edited by admin on Wed Apr 02 08:08:54 GMT 2025
PRIMARY
Related Record Type Details
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