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Details

Stereochemistry ACHIRAL
Molecular Formula C22H19N3O4S
Molecular Weight 421.469
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 5-((3-ETHYLBENZOXAZOL-2(3H)-YLIDENE)ETHYLIDENE)-4-OXO-3-PHENYL-2-THIOXOIMIDAZOLIDIN-1-YLACETIC ACID

SMILES

CCN1\C(OC2=CC=CC=C12)=C\C=C3/N(CC(O)=O)C(=S)N(C3=O)C4=CC=CC=C4

InChI

InChIKey=MTTSAJTTXKHHJZ-JOSACAGISA-N
InChI=1S/C22H19N3O4S/c1-2-23-16-10-6-7-11-18(16)29-19(23)13-12-17-21(28)25(15-8-4-3-5-9-15)22(30)24(17)14-20(26)27/h3-13H,2,14H2,1H3,(H,26,27)/b17-12-,19-13-

HIDE SMILES / InChI

Molecular Formula C22H19N3O4S
Molecular Weight 421.469
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:28:41 GMT 2023
Edited
by admin
on Sat Dec 16 12:28:41 GMT 2023
Record UNII
HM4GW9WP3G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((3-ETHYLBENZOXAZOL-2(3H)-YLIDENE)ETHYLIDENE)-4-OXO-3-PHENYL-2-THIOXOIMIDAZOLIDIN-1-YLACETIC ACID
Systematic Name English
3-IODO-5-NITROANILINE 98
Common Name English
1-IMIDAZOLIDINEACETIC ACID, 5-((3-ETHYL-2(3H)-BENZOXAZOLYLIDENE)ETHYLIDENE)-4-OXO-3-PHENYL-2-THIOXO-
Common Name English
Code System Code Type Description
PUBCHEM
6437817
Created by admin on Sat Dec 16 12:28:41 GMT 2023 , Edited by admin on Sat Dec 16 12:28:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
236-399-5
Created by admin on Sat Dec 16 12:28:41 GMT 2023 , Edited by admin on Sat Dec 16 12:28:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID2065418
Created by admin on Sat Dec 16 12:28:41 GMT 2023 , Edited by admin on Sat Dec 16 12:28:41 GMT 2023
PRIMARY
FDA UNII
HM4GW9WP3G
Created by admin on Sat Dec 16 12:28:41 GMT 2023 , Edited by admin on Sat Dec 16 12:28:41 GMT 2023
PRIMARY
CAS
13350-41-9
Created by admin on Sat Dec 16 12:28:41 GMT 2023 , Edited by admin on Sat Dec 16 12:28:41 GMT 2023
PRIMARY