Tert-butyl 2-methyl-4-(2-oxo-1,3,4-oxathiazol-5-yl)benzoate
Basic information
- Standard SMILES
Cc1cc(-c2nsc(=O)o2)ccc1C(=O)OC(C)(C)C- InChIKey
IYRGDPABDDHJIU-UHFFFAOYSA-N- Molecular formula
- C14H15NO4S
- Average molar mass
- 293.34 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-methyl-4-(2-oxo-1,3,4-oxathiazol-5-yl)benzoate
- IUPAC
- tert-butyl 2-methyl-4-(2-oxo-1,3,4-oxathiazol-5-yl)benzoate
Names & synonyms
SCHEMBL14786305IYRGDPABDDHJIU-UHFFFAOYSA-Ntert-butyl 2-methyl-4-(2-oxo-1,3,4-oxathiazol-5-yl)benzoate
Database identifiers
- PubChem CID
- 89445353
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 441
Related reactions
2 records
Compound notes
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