Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C2C=C(SC2=C1)C(=O)C1CC[N+](C)(CC2=CC=CC=C2)CCC1O

InChIKey

InChIKey=WCCVUCMETCYHRK-UHFFFAOYSA-N

Formula

C25H30NO4S

Mass

440.58

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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

2,3,5-trisubstituted thiophenes Phenylmethylamines Anisoles Aryl alkyl ketones Benzylamines Alkyl aryl ethers Aralkylamines Azepanes Gamma-amino ketones Heteroaromatic compounds Tetraalkylammonium salts Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Anisole - Phenol ether - Phenylmethylamine - Benzylamine - Aryl alkyl ketone - Aryl ketone - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Azepane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Gamma-aminoketone - Tetraalkylammonium salt - Heteroaromatic compound - Thiophene - Quaternary ammonium salt - Secondary alcohol - Ketone - Azacycle - Ether - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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

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