Methyl 5-(2-benzo-[b]thienyl)-3-oxo-4-pentenoate

HCID 53636493
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Basic information

Standard SMILES
COC(=O)CC(=O)C=Cc1cc2ccccc2s1
InChIKey
ADANFTVKDUEIKT-UHFFFAOYSA-N
Molecular formula
C14H12O3S
Average molar mass
260.31 g/mol

Names & identifiers

Preferred name
Methyl 5-(2-benzo-[b]thienyl)-3-oxo-4-pentenoate
IUPAC
methyl 5-(1-benzothiophen-2-yl)-3-oxopent-4-enoate

Names & synonyms

SCHEMBL10761626ADANFTVKDUEIKT-UHFFFAOYSA-Nmethyl 5-(2-benzo-[b]thienyl)-3-oxo-4-pentenoate

Database identifiers

PubChem CID
53636493

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
18

Related reactions

1 records
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Compound notes

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