Structure Information
Structure

Compound Identification

SMILES

OCC1=CC=C(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCN(CC3=CC=CC=C3)CC2)C2=CSC3=CC=CC=C23)C=C1

InChIKey

InChIKey=PTTHOVHGPPERMY-ZUKKLESISA-N

Formula

C33H34N2O4S

Mass

554.71

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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

Phenylmethylamines Benzyl alcohols Benzylamines Aralkylamines N-alkylpiperazines Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Acetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Primary alcohols Aromatic alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Phenylmethylamine - Benzylamine - Benzyl alcohol - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Benzenoid - Piperazine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic alcohol - Primary alcohol - 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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