Ethyl 2-(acetylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

HCID 2830693

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

Related reactions

2 records

Compound notes

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