Structure Information
Structure

Compound Identification

SMILES

CCOCC[N+]1=CC=C(CCC(=O)C2=CC3=CC(OC)=C(OC)C=C3S2)C=C1

InChIKey

InChIKey=ICAMBRIYAKJCIK-UHFFFAOYSA-N

Formula

C22H26NO4S

Mass

400.51

Export to:

JSON SDF CSV

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 Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Anisole - Phenol ether - 2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Thiophene - Ketone - Ether - Dialkyl ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - 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

Previous Back Next