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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H20F2N2O3S
Molecular Weight 478.51
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-74-4113

SMILES

OC(=O)[C@@H]1CCC[C@H]1C(=O)C2=CC=C(C=C2)C3=CC=C(NC4=NC5=C(S4)C=C(F)C=C5)C(F)=C3

InChI

InChIKey=IOQRTGZPCYYQLE-RTBURBONSA-N
InChI=1S/C26H20F2N2O3S/c27-17-9-11-22-23(13-17)34-26(30-22)29-21-10-8-16(12-20(21)28)14-4-6-15(7-5-14)24(31)18-2-1-3-19(18)25(32)33/h4-13,18-19H,1-3H2,(H,29,30)(H,32,33)/t18-,19-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BAY-74-4113
Code English
PF-04415060
Preferred Name English
(1R,2R)-2-(4-(3-FLUORO-4-((6-FLUORO-1,3-BENZOTHIAZOL-2-YL)AMINO)PHENYL)BENZOYL)CYCLOPENTANECARBOXYLIC ACID
Systematic Name English
CYCLOPENTANECARBOXYLIC ACID, 2-((3'-FLUORO-4'-((6-FLUORO-2-BENZOTHIAZOLYL)AMINO)(1,1'-BIPHENYL)-4-YL)CARBONYL)-, (1R,2R)-
Systematic Name English
BAY74-4113
Code English
Code System Code Type Description
FDA UNII
CY477RQR44
Created by admin on Wed Apr 02 12:52:01 GMT 2025 , Edited by admin on Wed Apr 02 12:52:01 GMT 2025
PRIMARY
PUBCHEM
44464393
Created by admin on Wed Apr 02 12:52:01 GMT 2025 , Edited by admin on Wed Apr 02 12:52:01 GMT 2025
PRIMARY
MANUFACTURER PRODUCT INFORMATION
BAY-74-4113
Created by admin on Wed Apr 02 12:52:01 GMT 2025 , Edited by admin on Wed Apr 02 12:52:01 GMT 2025
PRIMARY BAY 74-4113: CAS 791593-56-1
SMS_ID
300000046507
Created by admin on Wed Apr 02 12:52:01 GMT 2025 , Edited by admin on Wed Apr 02 12:52:01 GMT 2025
PRIMARY
CAS
791593-56-1
Created by admin on Wed Apr 02 12:52:01 GMT 2025 , Edited by admin on Wed Apr 02 12:52:01 GMT 2025
PRIMARY