Structure Information
Structure

Compound Identification

SMILES

CN(CCCS(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC2=C(S1)C=C(Cl)C=C2)=C1C=CC(=CNCCCS(O)(=O)=O)C=C1

InChIKey

InChIKey=IZHJZFDTTSWAIV-UHFFFAOYSA-N

Formula

C29H31ClN2O6S3

Mass

635.21

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - P-quinodimethane - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 2,3,5-trisubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Thiophene - Alkanesulfonic acid - Tertiary amine - Secondary amine - Secondary aliphatic amine - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen 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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