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Details

Stereochemistry ACHIRAL
Molecular Formula C20H19NO6S
Molecular Weight 401.433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIETHYL CYCLOPENTA(B)(1,4)BENZOTHIAZINE-1,2,3-TRICARBOXYLATE

SMILES

CCOC(=O)c1c(C(=O)OCC)c2nc3ccccc3sc2c1C(=O)OCC

InChI

InChIKey=XRAOJMDRIJIJDZ-UHFFFAOYSA-N
InChI=1S/C20H19NO6S/c1-4-25-18(22)13-14(19(23)26-5-2)16-17(15(13)20(24)27-6-3)28-12-10-8-7-9-11(12)21-16/h7-10H,4-6H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-382101
Preferred Name English
TRIETHYL CYCLOPENTA(B)(1,4)BENZOTHIAZINE-1,2,3-TRICARBOXYLATE
Systematic Name English
BENZO(B)CYCLOPENTA(E)(1,4)THIAZINE-1,2,3-TRICARBOXYLIC ACID, TRIETHYL ESTER
Systematic Name English
BENZO(B)CYCLOPENTA(E)(1,4)THIAZINE-1,2,3-TRICARBOXYLIC ACID, 1,2,3-TRIETHYL ESTER
Systematic Name English
Code System Code Type Description
NSC
382101
Created by admin on Tue Apr 01 20:03:26 GMT 2025 , Edited by admin on Tue Apr 01 20:03:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID20199602
Created by admin on Tue Apr 01 20:03:26 GMT 2025 , Edited by admin on Tue Apr 01 20:03:26 GMT 2025
PRIMARY
CAS
51666-81-0
Created by admin on Tue Apr 01 20:03:26 GMT 2025 , Edited by admin on Tue Apr 01 20:03:26 GMT 2025
PRIMARY
FDA UNII
UQ9Q2AV7JG
Created by admin on Tue Apr 01 20:03:26 GMT 2025 , Edited by admin on Tue Apr 01 20:03:26 GMT 2025
PRIMARY
PUBCHEM
343114
Created by admin on Tue Apr 01 20:03:26 GMT 2025 , Edited by admin on Tue Apr 01 20:03:26 GMT 2025
PRIMARY
NIH
NCATS
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