2-Acetyl-1,2,3,4-tetrahydro-benzo[b]thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester

HCID 69959664
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Basic information

Standard SMILES
CCOC(=O)C1C(C(C)=O)SC23C=CC=CC2=NCCC13
InChIKey
MOVAWQHWJRXFSX-UHFFFAOYSA-N
Molecular formula
C16H19NO3S
Average molar mass
305.4 g/mol

Names & identifiers

Preferred name
2-Acetyl-1,2,3,4-tetrahydro-benzo[b]thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
IUPAC
ethyl 2-acetyl-3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline-3-carboxylate

Names & synonyms

SCHEMBL7009543MOVAWQHWJRXFSX-UHFFFAOYSA-N2-Acetyl-1,2,3,4-tetrahydro-benzo[b]thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID
69959664

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
81 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
21

Related reactions

1 records
New reaction record

Compound notes

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