Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)C2C3CCC(O3)C2C(O)=O)SC=C1C1=CC(Br)=CC=C1

InChIKey

InChIKey=HTNXRTIQLQKXHW-UHFFFAOYSA-N

Formula

C21H20BrNO6S

Mass

494.36

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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

N-arylamide - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Oxolane - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Dialkyl ether - Ether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - 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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