Compound Identification
SMILES
COC1=CC(OC)=NC(SC2=CC=CC(C(C)=O)=C2C(O)=O)=N1
InChIKey
InChIKey=NEJZCVTYWKTMRI-UHFFFAOYSA-N
Formula
C15H14N2O5S
Mass
334.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzoic acids
- Level 6 2-pyrimidinylthiobenzoic acids
-
Level 5
Benzoic acids
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acids
Direct Parent
2-pyrimidinylthiobenzoic acids
Alternative Parents
Alkyl-phenylketones Diarylthioethers O-sulfanylbenzoic acids Acetophenones Thiophenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Vinylogous thioesters Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-pyrimidinylthiobenzoic acid - Alkyl-phenylketone - Diarylthioether - O-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid - Acetophenone - Phenylketone - Thiophenol ether - Aryl ketone - Aryl alkyl ketone - Aryl thioether - Benzoyl - Alkyl aryl ether - Vinylogous thioester - Pyrimidine - Heteroaromatic compound - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-pyrimidinylthiobenzoic acids. These are benzoic acids that carry a 2-thiopyrimidine at the 2-position of the benzene ring.
External Descriptors
Not available