Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C([C@@H]1C)[S@@](=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=MXKSSTBNCFLAQR-XFNZEKPQSA-N
Formula
C17H21NO3S
Mass
319.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Hydropyridines
- Level 5 Dihydropyridines
-
Subclass
Hydropyridines
-
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
Phenyl sulfoxides Toluenes Vinylogous amides Methyl esters Enoate esters Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Enamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl sulfoxide - Dihydropyridinecarboxylic acid derivative - Toluene - Monocyclic benzene moiety - Benzenoid - Methyl ester - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Sulfoxide - Sulfinyl compound - Monocarboxylic acid or derivatives - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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