Basic information
- Standard SMILES
COC(=O)CCCc1cc2c(=O)c(C#N)c[nH]c2s1- InChIKey
PPZKUHHJHNZPLU-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3S
- Average molar mass
- 276.31 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(5-cyano-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-2-yl)butanoate
- IUPAC
- methyl 4-(5-cyano-4-oxo-7H-thieno[2,3-b]pyridin-2-yl)butanoate
Names & synonyms
SCHEMBL4892667PPZKUHHJHNZPLU-UHFFFAOYSA-Nmethyl 4-(5-cyano-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-2-yl)butanoate
Database identifiers
- PubChem CID
- 22256643
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 466
Related reactions
5 records
Compound notes
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