Compound Identification
SMILES
COC1=CC=CC=C1NCC(=O)NN=CC1=CC=C(OC(=O)C2=CC=CS2)C=C1
InChIKey
InChIKey=JPMGKWSSPZIGCD-UHFFFAOYSA-N
Formula
C21H19N3O4S
Mass
409.46
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
Alpha amino acids and derivatives Methoxyanilines Aminophenyl ethers Thiophene carboxylic acids and derivatives Phenylalkylamines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenol ester - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organonitrogen 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