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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Hydropyridines
- Level 5 Dihydropyridines
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Subclass
Hydropyridines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Dihydropyridines
Direct Parent
Dihydropyridinecarboxylic acids and derivatives
Alternative Parents
Aniline and substituted anilines 2,4-disubstituted thiazoles Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Enoate esters Amino acids and derivatives Azacyclic compounds Dialkylamines Enamines Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
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