Compound Identification
SMILES
CCC1=NN2C(S1)=NC(=O)C(=CC1=CC=C(OC(=O)C3=CC=CO3)C=C1)C2=N
InChIKey
InChIKey=IJOHLTYEFLRHSB-UHFFFAOYSA-N
Formula
C19H14N4O4S
Mass
394.41
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
Furoic acid esters Phenoxy compounds Pyrimidones Hydropyrimidines Imidolactams Thiadiazolines Heteroaromatic compounds Carboxylic acid esters N-acylimines Amidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ester - Furoic acid ester - Furoic acid or derivatives - Phenoxy compound - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Furan - Heteroaromatic compound - Thiadiazoline - Carboxylic acid ester - N-acylimine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Amidine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - 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