Basic information
- Standard SMILES
CCOC(=O)CSC1=CC(=NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2C1=O- InChIKey
SOHLZFCCNIYACP-UHFFFAOYSA-N- Molecular formula
- C21H18ClNO5S2
- Average molar mass
- 464 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(4-(4-chlorobenzylsulfonylimino)-1-oxo-1,4-dihydronaphthalen-2-ylthio)-acetate
- IUPAC
- ethyl 2-[4-[(4-chlorophenyl)methylsulfonylimino]-1-oxonaphthalen-2-yl]sulfanylacetate
Names & synonyms
SCHEMBL2241310SCHEMBL2241311SCHEMBL10058096SOHLZFCCNIYACP-UHFFFAOYSA-NEthyl 2-(4-(4-chlorobenzylsulfonylimino)-1-oxo-1,4-dihydronaphthalen-2-ylthio)-acetate
Database identifiers
- PubChem CID
- 67330733
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 810
Related reactions
1 records
Compound notes
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