Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CSC2=C1C=CC(=C2)C#CC1=CCCCC1(C)C

InChIKey

InChIKey=GRLHUDSEVPWZJR-UHFFFAOYSA-N

Formula

C21H22O2S

Mass

338.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiophenes

Subclass

1-benzothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

1-benzothiophenes

Alternative Parents

Thiophene carboxylic acids and derivatives Benzenoids Heteroaromatic compounds Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Thiophene carboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.

External Descriptors

Not available

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