Basic information
- CAS
82571-70-8- Standard SMILES
CCOC(=O)CN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(=O)c1ccc(Cl)cc1- InChIKey
RAOBDLSFPLXATH-UHFFFAOYSA-N- Molecular formula
- C23H25ClN2O6S
- Average molar mass
- 493 g/mol
- Monoisotopic mass
- 492.1121854
Names & identifiers
- Preferred name
- Glycine, N-(4-chlorobenzoyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl ester
- IUPAC
- ethyl 2-[(4-chlorobenzoyl)-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]acetate
Names & synonyms
82571-70-8Glycine, N-(4-chlorobenzoyl)-N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-, ethyl esterDTXSID70231884RefChem:346502DTXCID00154375Ethyl N-(4-chlorobenzoyl)-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}glycinate
Database identifiers
- CAS
82571-70-8- PubChem CID
- 3068005
- DTXSID
DTXSID70231884
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 715
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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