Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC2=C(C=C1)C(CC1=CC=C(OCCN3CCCCC3)C=C1)=C(S2)C1=C(F)C(F)=CC=C1

InChIKey

InChIKey=ANUWLRLPDJNMTE-UHFFFAOYSA-N

Formula

C30H29F2NO3S

Mass

521.62

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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

Phenoxy compounds Phenol ethers Fluorobenzenes Alkyl aryl ethers Piperidines Aryl fluorides Thiophenes Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Piperidine - Benzenoid - Monocyclic benzene moiety - Thiophene - Methyl ester - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - 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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