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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11NO5S2
Molecular Weight 349.382
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4H,11H-[1]Benzothiopyrano[3?,4?:5,6]thiopyrano[3,4-d]isoxazole-1-carboxylate 5,5-dioxide

SMILES

COC(=O)C1=NOC2=C1CSC3=C2CS(=O)(=O)C4=CC=CC=C34

InChI

InChIKey=AAHIJSKEGCKBMD-UHFFFAOYSA-N
InChI=1S/C15H11NO5S2/c1-20-15(17)12-9-6-22-14-8-4-2-3-5-11(8)23(18,19)7-10(14)13(9)21-16-12/h2-5H,6-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H11NO5S2
Molecular Weight 349.382
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 19:34:29 GMT 2025
Edited
by admin
on Tue Apr 01 19:34:29 GMT 2025
Record UNII
WYX683RMH2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-375959
Preferred Name English
Methyl 4H,11H-[1]Benzothiopyrano[3?,4?:5,6]thiopyrano[3,4-d]isoxazole-1-carboxylate 5,5-dioxide
Systematic Name English
4H,11H-[1]Benzothiopyrano[3?,4?:5,6]thiopyrano[3,4-d]isoxazole-1-carboxylic acid, methyl ester, 5,5-dioxide
Systematic Name English
Code System Code Type Description
CAS
74122-61-5
Created by admin on Tue Apr 01 19:34:29 GMT 2025 , Edited by admin on Tue Apr 01 19:34:29 GMT 2025
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EPA CompTox
DTXSID50225069
Created by admin on Tue Apr 01 19:34:29 GMT 2025 , Edited by admin on Tue Apr 01 19:34:29 GMT 2025
PRIMARY
FDA UNII
WYX683RMH2
Created by admin on Tue Apr 01 19:34:29 GMT 2025 , Edited by admin on Tue Apr 01 19:34:29 GMT 2025
PRIMARY
PUBCHEM
341850
Created by admin on Tue Apr 01 19:34:29 GMT 2025 , Edited by admin on Tue Apr 01 19:34:29 GMT 2025
PRIMARY
NSC
375959
Created by admin on Tue Apr 01 19:34:29 GMT 2025 , Edited by admin on Tue Apr 01 19:34:29 GMT 2025
PRIMARY