Basic information
- Standard SMILES
CCOC(=O)c1c(NC(C)=O)sc2c1CCCC2=O- InChIKey
JPJXZTHTKNOGNH-UHFFFAOYSA-N- Molecular formula
- C13H15NO4S
- Average molar mass
- 281.33 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(acetylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-acetamido-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
Names & synonyms
91421-24-8ethyl 2-(acetylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateEthyl 2-acetamido-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateMFCD00437065ethyl 2-acetamido-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-acetamido-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylatebenzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-7-oxo-, ethyl esterOprea1_771175Oprea1_870074CBDivE_012034SCHEMBL2927596JPJXZTHTKNOGNH-UHFFFAOYSA-N
Show more names
ALBB-023127BBL007805STK279814AKOS000514256ethyl 2-acetylamino-4,5,6,7-tetrahydro-7-oxobenzo[b]thiophene-3-carboxylateCCG-125026SS-4796ST095498
Database identifiers
- PubChem CID
- 2830693
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Related reactions
2 records
Compound notes
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