Structure Information
Structure

Compound Identification

SMILES

COC1=C(Cl)C2=C(C=C1)C(Cl)=C(S2)C(=O)OCC(=O)C1=C(C)N(CC=C)C(C)=C1

InChIKey

InChIKey=UXBRLFMUSAJPPH-UHFFFAOYSA-N

Formula

C21H19Cl2NO4S

Mass

452.35

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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 Aryl alkyl ketones Anisoles Alkyl aryl ethers Substituted pyrroles Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Anisole - Phenol ether - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Thiophene - Vinylogous halide - Ketone - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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