Compound Identification
SMILES
CN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(OC(=O)C2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=XXMFWYRWOZKPIB-UHFFFAOYSA-N
Formula
C24H21N3O5S
Mass
463.51
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
3,4,5-trisubstituted-2-aminothiophenes Benzodioxoles Phenoxy compounds Secondary alkylarylamines Aralkylamines Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Carboxylic acid esters Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Benzodioxole - 3,4,5-trisubstituted-2-aminothiophene - Phenoxy compound - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - 2-aminothiophene - Thiophene - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic 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