Ethyl 2-formyl-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxylate

HCID 22574293

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)c1cn(C)c2c(C)c(C=O)sc2c1=O
InChIKey: ALNURZDIBXUVEK-UHFFFAOYSA-N
Molecular formula: C13H13NO4S
Average molar mass: 279.31 g/mol

Names & identifiers

Preferred name: Ethyl 2-formyl-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxylate
IUPAC: ethyl 2-formyl-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate

Names & synonyms

SCHEMBL6317607ALNURZDIBXUVEK-UHFFFAOYSA-NDB-203387Ethyl 2-formyl-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxylate2-Formyl-4,7-dihydro-3,4-dimethyl-7-oxo-thieno[3,2-b]pyridine-6-carboxylic acid ethyl ester566947-51-1

Database identifiers

PubChem CID: 22574293

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 91.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 448

Related reactions

4 records

New reaction record

HRID 23615As productuspto-grants-2005_02

HRID 23616As reactantuspto-grants-2005_02

HRID 702940As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2137593As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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