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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11NO3S
Molecular Weight 249.286
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 4-(3-oxo-2(3H)-isothiazolyl)benzoate

SMILES

CCOC(=O)C1=CC=C(C=C1)N2SC=CC2=O

InChI

InChIKey=BZBRYBISKLKJCA-UHFFFAOYSA-N
InChI=1S/C12H11NO3S/c1-2-16-12(15)9-3-5-10(6-4-9)13-11(14)7-8-17-13/h3-8H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H11NO3S
Molecular Weight 249.286
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:42:24 GMT 2025
Edited
by admin
on Wed Apr 02 05:42:24 GMT 2025
Record UNII
ZAF2KX423G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 4-(3-oxo-2(3H)-isothiazolyl)benzoate
Systematic Name English
Ethyl 4-(3-oxoisothiazol-2(3H)-yl)benzoate
Preferred Name English
Benzoic acid, 4-(3-oxo-2(3H)-isothiazolyl)-, ethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
ZAF2KX423G
Created by admin on Wed Apr 02 05:42:24 GMT 2025 , Edited by admin on Wed Apr 02 05:42:24 GMT 2025
PRIMARY
PUBCHEM
4381769
Created by admin on Wed Apr 02 05:42:24 GMT 2025 , Edited by admin on Wed Apr 02 05:42:24 GMT 2025
PRIMARY