Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.CC(C)N1CCC(=CC1)C1=CSC2=C1C=CC=C2[N+]([O-])=O

InChIKey

InChIKey=ZCNIQWWPYORILA-WLHGVMLRSA-N

Formula

C20H22N2O6S

Mass

418.46

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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

Molecular Framework

Not available

Substituents

1-benzothiophene - Nitroaromatic compound - Dicarboxylic acid or derivatives - Hydropyridine - Fatty acyl - Fatty acid - Unsaturated fatty acid - Benzenoid - Thiophene - Heteroaromatic compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic salt - Organic nitrogen compound - Organic oxygen 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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