Compound Identification
SMILES
COC1=CC(OC)=NC(SC2=CC=CC(C)=C2C(O)=O)=N1
InChIKey
InChIKey=HOXZOOVSEXKIKG-UHFFFAOYSA-N
Formula
C14H14N2O4S
Mass
306.34
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
Diarylthioethers O-sulfanylbenzoic acids Thiophenol ethers Benzoyl derivatives Alkyl aryl ethers Toluenes Pyrimidines and pyrimidine derivatives Vinylogous thioesters Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-pyrimidinylthiobenzoic acid - Diarylthioether - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Benzoyl - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Toluene - Vinylogous thioester - Pyrimidine - Heteroaromatic compound - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Thioether - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen 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