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

[H][C@@]12CN(C(=O)OC(C)(C)C)[C@@]([H])(C1)C(=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

Approval Year

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
Systematic 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 Sat Dec 16 20:08:59 GMT 2023 , Edited by admin on Sat Dec 16 20:08:59 GMT 2023
PRIMARY
FDA UNII
8UNH2DKB3J
Created by admin on Sat Dec 16 20:08:59 GMT 2023 , Edited by admin on Sat Dec 16 20:08:59 GMT 2023
PRIMARY
PUBCHEM
10911351
Created by admin on Sat Dec 16 20:08:59 GMT 2023 , Edited by admin on Sat Dec 16 20:08:59 GMT 2023
PRIMARY