Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N=CC1=CC(I)=CC=C1

InChIKey

InChIKey=BDBHGFFXCAFTNN-UHFFFAOYSA-N

Formula

C18H18INO2S

Mass

439.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiophenes

Subclass

Thiophene carboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Thiophene carboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thiophene carboxylic acid or derivatives - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Shiff base - Aldimine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Imine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).

External Descriptors

Not available

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