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2D Structure
Also known as: 122946-43-4, Reolase, Telmesteine [inn], (4r)-3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid, 124i3fe35t, Telmesteine (inn)
Molecular Formula
C7H11NO4S
Molecular Weight
205.23  g/mol
InChI Key
XBJWOGLKABXFJE-YFKPBYRVSA-N
FDA UNII
124I3FE35T

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4R)-3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
2.1.2 InChI
InChI=1S/C7H11NO4S/c1-2-12-7(11)8-4-13-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
2.1.3 InChI Key
XBJWOGLKABXFJE-YFKPBYRVSA-N
2.1.4 Canonical SMILES
CCOC(=O)N1CSCC1C(=O)O
2.1.5 Isomeric SMILES
CCOC(=O)N1CSC[C@H]1C(=O)O
2.2 Other Identifiers
2.2.1 UNII
124I3FE35T
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-ethylhydrogen-3,4-thiazolidinedicarboxylate

2. Telmestein

2.3.2 Depositor-Supplied Synonyms

1. 122946-43-4

2. Reolase

3. Telmesteine [inn]

4. (4r)-3-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic Acid

5. 124i3fe35t

6. Telmesteine (inn)

7. 3,4-thiazolidinedicarboxylic Acid, 3-ethyl Ester, (4r)-

8. Telmesteina

9. Telmesteinum

10. Telmesteinum [inn-latin]

11. Telmesteina [inn-spanish]

12. (r)-3-(ethoxycarbonyl)thiazolidine-4-carboxylic Acid

13. Unii-124i3fe35t

14. Reolase (tn)

15. Telmesteine [inci]

16. Telmesteine [mart.]

17. Telmesteine [who-dd]

18. Schembl637246

19. Chembl2107621

20. Dtxsid60153804

21. Chebi:134866

22. Zinc2529189

23. Akos010385372

24. D08565

25. Q27251366

26. (-)-3-ethyl Hydrogen (r)-3,4-thiazolidinedicarboxylate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 205.23 g/mol
Molecular Formula C7H11NO4S
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass205.04087901 g/mol
Monoisotopic Mass205.04087901 g/mol
Topological Polar Surface Area92.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1