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Details

Stereochemistry ACHIRAL
Molecular Formula C27H24N2O7S
Molecular Weight 520.554
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of EMD-122801 FREE ACID

SMILES

COC1=CC=C(C=C1)C(=O)C(\CC2=CC(OC)=C(OC)C(OC)=C2)=C(\C(O)=O)C3=CC4=NSN=C4C=C3

InChI

InChIKey=FQABVYJPVNBEGC-LYBHJNIJSA-N
InChI=1S/C27H24N2O7S/c1-33-18-8-5-16(6-9-18)25(30)19(11-15-12-22(34-2)26(36-4)23(13-15)35-3)24(27(31)32)17-7-10-20-21(14-17)29-37-28-20/h5-10,12-14H,11H2,1-4H3,(H,31,32)/b24-19+

HIDE SMILES / InChI

Molecular Formula C27H24N2O7S
Molecular Weight 520.554
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:28:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:31 GMT 2023
Record UNII
SAJ4JY4MYU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMD-122801 FREE ACID
Common Name English
.ALPHA.-(2-(4-METHOXYPHENYL)-2-OXO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)ETHYLIDENE)-2,1,3-BENZOTHIADIAZOLE-5-ACETIC ACID
Systematic Name English
2,1,3-BENZOTHIADIAZOLE-5-ACETIC ACID, .ALPHA.-(2-(4-METHOXYPHENYL)-2-OXO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)ETHYLIDENE)-
Systematic Name English
Code System Code Type Description
FDA UNII
SAJ4JY4MYU
Created by admin on Sat Dec 16 08:28:31 GMT 2023 , Edited by admin on Sat Dec 16 08:28:31 GMT 2023
PRIMARY
PUBCHEM
87974311
Created by admin on Sat Dec 16 08:28:31 GMT 2023 , Edited by admin on Sat Dec 16 08:28:31 GMT 2023
PRIMARY
CAS
195506-97-9
Created by admin on Sat Dec 16 08:28:31 GMT 2023 , Edited by admin on Sat Dec 16 08:28:31 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
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ACTIVE MOIETY