U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15NO3S
Molecular Weight 229.296
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-butyl (1S,4S)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate

SMILES

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C(=O)S2

InChI

InChIKey=NRGHTFYSJLCXHO-BQBZGAKWSA-N
InChI=1S/C10H15NO3S/c1-10(2,3)14-9(13)11-5-6-4-7(11)8(12)15-6/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H15NO3S
Molecular Weight 229.296
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:19:52 GMT 2025
Edited
by admin
on Wed Apr 02 18:19:52 GMT 2025
Record UNII
8UNH2DKB3J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-butyl (1S,4S)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate
Systematic Name English
(1S,4S)-6-Oxo-2-aza-5-thiabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
Preferred Name English
2-Thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester, (1S,4S)-
Systematic Name English
1,1-Dimethylethyl (1S,4S)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate
Systematic Name English
Code System Code Type Description
CAS
177615-42-8
Created by admin on Wed Apr 02 18:19:52 GMT 2025 , Edited by admin on Wed Apr 02 18:19:52 GMT 2025
PRIMARY
FDA UNII
8UNH2DKB3J
Created by admin on Wed Apr 02 18:19:52 GMT 2025 , Edited by admin on Wed Apr 02 18:19:52 GMT 2025
PRIMARY
PUBCHEM
10911351
Created by admin on Wed Apr 02 18:19:52 GMT 2025 , Edited by admin on Wed Apr 02 18:19:52 GMT 2025
PRIMARY