Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester
Basic information
- CAS
36124-58-0- Standard SMILES
CCOC(=O)CCSc1ccccc1OC(=O)NC- InChIKey
VTEREDLDXGWSRB-UHFFFAOYSA-N- Molecular formula
- C13H17NO4S
- Average molar mass
- 283.35 g/mol
- Monoisotopic mass
- 283.0878292
Names & identifiers
- Preferred name
- Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester
- IUPAC
- ethyl 3-[2-(methylcarbamoyloxy)phenyl]sulfanylpropanoate
Names & synonyms
BRN 229704736124-58-0Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl esterEthyl 3-((2-(((ethylamino)carbonyl)oxy)phenyl)thio)propannoateDTXSID80189701RefChem:374780DTXCID00112192ethyl 3-({2-[(methylcarbamoyl)oxy]phenyl}sulfanyl)propanoate
Database identifiers
- CAS
36124-58-0- PubChem CID
- 215724
- DTXSID
DTXSID80189701
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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