Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(C2=CC(Br)=CS2)C(C(=O)OCC=C)=C(C)N1)C(=O)OCC=C

InChIKey

InChIKey=LLHMZSJCMZJCRF-UHFFFAOYSA-N

Formula

C19H20BrNO4S

Mass

438.34

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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 heteromonocyclic compounds

Substituents

Dihydropyridinecarboxylic acid derivative - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Heteroaromatic compound - Thiophene - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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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