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Details

Stereochemistry RACEMIC
Molecular Formula C28H25NO7S
Molecular Weight 519.566
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of THR-0921

SMILES

COC(=O)C(=C\C1=CC(OC)=CC(OC)=C1)\C2=CC=C(OC3=CC=C(CC4SC(=O)NC4=O)C=C3)C=C2

InChI

InChIKey=IVAQJHSXBVHUQT-ZVHZXABRSA-N
InChI=1S/C28H25NO7S/c1-33-22-12-18(13-23(16-22)34-2)14-24(27(31)35-3)19-6-10-21(11-7-19)36-20-8-4-17(5-9-20)15-25-26(30)29-28(32)37-25/h4-14,16,25H,15H2,1-3H3,(H,29,30,32)/b24-14+

HIDE SMILES / InChI

Approval Year

Name Type Language
CLX-0921
Preferred Name English
THR-0921
Code English
BENZENEACETIC ACID, .ALPHA.-((3,5-DIMETHOXYPHENYL)METHYLENE)-4-(4-((2,4-DIOXO-5-THIAZOLIDINYL)METHYL)PHENOXY)-, METHYL ESTER, (.ALPHA.E)-
Systematic Name English
3-(3,5-DIMETHOXYPHENYL)-2-(4-(4-(2,4-DIOXOTHIAZOLIDIN-5-YLMETHYL)-PHENOXY)-PHENYL)-ACRYLIC ACID METHYL ESTER
Systematic Name English
Code System Code Type Description
DRUG BANK
DB05854
Created by admin on Mon Mar 31 18:30:16 GMT 2025 , Edited by admin on Mon Mar 31 18:30:16 GMT 2025
PRIMARY
ChEMBL
CHEMBL3545240
Created by admin on Mon Mar 31 18:30:16 GMT 2025 , Edited by admin on Mon Mar 31 18:30:16 GMT 2025
PRIMARY
PUBCHEM
9958278
Created by admin on Mon Mar 31 18:30:16 GMT 2025 , Edited by admin on Mon Mar 31 18:30:16 GMT 2025
PRIMARY
CAS
606932-81-4
Created by admin on Mon Mar 31 18:30:16 GMT 2025 , Edited by admin on Mon Mar 31 18:30:16 GMT 2025
PRIMARY
FDA UNII
4LXSR6QYJI
Created by admin on Mon Mar 31 18:30:16 GMT 2025 , Edited by admin on Mon Mar 31 18:30:16 GMT 2025
PRIMARY
CAS
249886-47-3
Created by admin on Mon Mar 31 18:30:16 GMT 2025 , Edited by admin on Mon Mar 31 18:30:16 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY