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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9NO3S
Molecular Weight 247.27
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4H-THIOCHROMENO(3,4-D)ISOXAZOLE-3-CARBOXYLATE

SMILES

COC(=O)C1=NOC2=C1CSC3=C2C=CC=C3

InChI

InChIKey=JJCCOUNMGNWGQQ-UHFFFAOYSA-N
InChI=1S/C12H9NO3S/c1-15-12(14)10-8-6-17-9-5-3-2-4-7(9)11(8)16-13-10/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H9NO3S
Molecular Weight 247.27
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 Tue Apr 01 19:40:28 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:28 GMT 2025
Record UNII
8QBO81AR8F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4H-THIOCHROMENO(3,4-D)ISOXAZOLE-3-CARBOXYLATE
Systematic Name English
NSC-320967
Preferred Name English
4H-(1)BENZOTHIOPYRANO(3,4-D)ISOXAZOLE-3-CARBOXYLIC ACID, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
8QBO81AR8F
Created by admin on Tue Apr 01 19:40:28 GMT 2025 , Edited by admin on Tue Apr 01 19:40:28 GMT 2025
PRIMARY
CAS
69099-62-3
Created by admin on Tue Apr 01 19:40:28 GMT 2025 , Edited by admin on Tue Apr 01 19:40:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID20219152
Created by admin on Tue Apr 01 19:40:28 GMT 2025 , Edited by admin on Tue Apr 01 19:40:28 GMT 2025
PRIMARY
PUBCHEM
330985
Created by admin on Tue Apr 01 19:40:28 GMT 2025 , Edited by admin on Tue Apr 01 19:40:28 GMT 2025
PRIMARY
NSC
320967
Created by admin on Tue Apr 01 19:40:28 GMT 2025 , Edited by admin on Tue Apr 01 19:40:28 GMT 2025
PRIMARY