Structure Information
Structure

Compound Identification

SMILES

COC1=C(CN2CCOCC2)C=CC(CC2=C(SC3=C2C=CC(N)=C3)C2=CC=C(OCCN3CCCC3)C=C2)=C1

InChIKey

InChIKey=VPZXIEQNEJINFY-UHFFFAOYSA-N

Formula

C33H39N3O3S

Mass

557.75

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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

Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers N-alkylpyrrolidines Morpholines Heteroaromatic compounds Thiophenes Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Primary amines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Thiophene - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organic oxygen 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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