Compound Identification
SMILES
CC1=C(SCC(=O)N1)C1C=CN(C=C1C#N)C(=O)OCC(Cl)(Cl)Cl
InChIKey
InChIKey=DTNNEYIPAQQUTP-UHFFFAOYSA-N
Formula
C14H12Cl3N3O3S
Mass
408.68
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
1,4-thiazines Carbamate esters Thioenol ethers Secondary carboxylic acid amides Lactams Nitriles Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Para-thiazine - Carbamic acid ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Thioenolether - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organochloride - Organohalogen compound - Alkyl chloride - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Aliphatic 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