Structure Information
Structure

Compound Identification

SMILES

CC1CCC2=C(C1)SC(NC(=O)COC(=O)C1=C(Cl)C3=CC=CC=C3S1)=C2C#N

InChIKey

InChIKey=XZGPMFADOWPKCD-UHFFFAOYSA-N

Formula

C21H17ClN2O3S2

Mass

444.95

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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 N-arylamides Benzenoids Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Nitriles Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Thiophene carboxylic acid or derivatives - N-arylamide - Aryl chloride - Aryl halide - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Cyanide - 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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