Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1NC1=NC(=CS1)C1=CC=C(Cl)C=C1)C(=O)OCC

InChIKey

InChIKey=XLWQMJSTWHCUMK-UHFFFAOYSA-N

Formula

C28H28ClN3O4S

Mass

538.06

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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 - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Benzenoid - Enoate ester - Thiazole - Alpha,beta-unsaturated carboxylic ester - Azole - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Enamine - Secondary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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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