Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(O)=O.OC(=O)C(O)=O.C(CN1CCCC1)OC1=CC=C(CC2=C(SC3=CC=CC=C23)C2=CC=C(OCCN3C=CN=C3)C=C2)C=C1

InChIKey

InChIKey=YVUMTBPNSNRFJD-UHFFFAOYSA-N

Formula

C36H37N3O10S

Mass

703.76

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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

Phenoxy compounds Phenol ethers Alkyl aryl ethers N-substituted imidazoles N-alkylpyrrolidines Dicarboxylic acids and derivatives Thiophenes Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Not available

Substituents

1-benzothiophene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - N-alkylpyrrolidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiophene - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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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