Basic information
- CAS
100347-60-2- Standard SMILES
CCOC(=O)c1c(Sc2ccc(C)cc2)oc2ccc(O)c(C[NH+](C)C)c12.[Cl-]- InChIKey
LULPSIUETKUDTC-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO4S
- Average molar mass
- 421.9 g/mol
- Monoisotopic mass
- 421.1114571
Names & identifiers
- Preferred name
- 3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-(p-tolylthio)-, ethyl ester, hydrochloride
- IUPAC
- [3-ethoxycarbonyl-5-hydroxy-2-(4-methylphenyl)sulfanyl-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Names & synonyms
100347-60-23-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-(p-tolylthio)-, ethyl ester, hydrochlorideRefChem:276883
Database identifiers
- CAS
100347-60-2- PubChem CID
- 57796
Properties
Computed structural properties
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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