Compound Identification
SMILES
CCCCSC1=C(C#N)C(C2=CC=CC=C2Cl)C(C(=O)OCCOC)=C(C)N1
InChIKey
InChIKey=MTQTUNFAGDGSKD-UHFFFAOYSA-N
Formula
C21H25ClN2O3S
Mass
420.95
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
-
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
Chlorobenzenes Aryl chlorides Vinylogous amides Enoate esters Ketene acetals Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Dialkyl ether - Azacycle - Ether - Sulfenyl compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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