Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=C(C=C1)C1=C(C2=C(OCC=C)C=CC=C2S1)C12CC3CC(CC(C3)C1)C2

InChIKey

InChIKey=LOTYTUGQLXAVPS-UHFFFAOYSA-N

Formula

C28H28O3S

Mass

444.59

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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

Benzoic acids Phenol ethers Benzoyl derivatives Alkyl aryl ethers Thiophenes Heteroaromatic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid - Carboxylic acid derivative - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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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