Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C2C=C(SC2=C1)C(=O)CCC1=CC=[N+](CC2=CC=C(F)C=C2)C=C1

InChIKey

InChIKey=FUUAKMKHJMTYEE-UHFFFAOYSA-N

Formula

C25H23FNO3S

Mass

436.52

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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

Aryl alkyl ketones Anisoles 2,3,5-trisubstituted thiophenes Fluorobenzenes Alkyl aryl ethers Pyridinium derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Anisole - Phenol ether - 2,3,5-trisubstituted thiophene - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Thiophene - Ketone - Ether - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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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