Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C(C1C1=CC=C(OC(=O)C2=CC=CS2)C=C1)C(=O)OC
InChIKey
InChIKey=XHNFPZVCDSPOCG-UHFFFAOYSA-N
Formula
C22H21NO6S
Mass
427.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives Thiophene carboxylic acids and derivatives Phenoxy compounds Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Enamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ester - Dihydropyridinecarboxylic acid derivative - Phenoxy compound - Thiophene carboxylic acid or derivatives - Dihydropyridine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyridine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available