Basic information
- Standard SMILES
CCCc1c(OC(=S)N(C)C)ccc2c(=O)cc(C(=O)OCC)oc12- InChIKey
MWCHDSIZNBFYAH-UHFFFAOYSA-N- Molecular formula
- C18H21NO5S
- Average molar mass
- 363.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 7-((dimethylamino)thioxomethoxy)-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylate
- IUPAC
- ethyl 7-(dimethylcarbamothioyloxy)-4-oxo-8-propylchromene-2-carboxylate
Names & synonyms
SCHEMBL9428627MWCHDSIZNBFYAH-UHFFFAOYSA-NEthyl 7-((dimethylamino)thioxomethoxy)-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylate
Database identifiers
- PubChem CID
- 13744907
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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