Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(C2=C(Br)SC3=CC=CC=C23)C(C(O)=O)=C(C)N1)C(O)=O

InChIKey

InChIKey=HTQVSIGWXPQFIO-UHFFFAOYSA-N

Formula

C17H14BrNO4S

Mass

408.27

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

Hydropyridines

Intermediate Tree Nodes

Dihydropyridines

Direct Parent

Dihydropyridinecarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiophene - 1-benzothiophene - Dihydropyridinecarboxylic acid derivative - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Enamine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.

External Descriptors

Not available

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