Structure Information
Structure

Compound Identification

SMILES

Cl.ClC1=C(SC2=C1C=CC(Br)=C2)C(=O)OCCN1CCCCC1

InChIKey

InChIKey=PHMYWRHAYZQPFS-UHFFFAOYSA-N

Formula

C16H18BrCl2NO2S

Mass

439.19

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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 Piperidines Aryl bromides Aryl chlorides Benzenoids Vinylogous halides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organobromides Organochlorides Organooxygen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Thiophene carboxylic acid or derivatives - Aryl bromide - Aryl chloride - Aryl halide - Piperidine - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous halide - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Hydrochloride - Organic nitrogen 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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