Compound Identification
SMILES
CCOC1=C(C(O)=O)C(SC2=NC(OC)=CC(OC)=N2)=CC=C1
InChIKey
InChIKey=JCFCBZWHKYRAJR-UHFFFAOYSA-N
Formula
C15H16N2O5S
Mass
336.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzoic acids
- Level 6 2-pyrimidinylthiobenzoic acids
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Level 5
Benzoic acids
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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 Benzoyl derivatives Thiophenol ethers Phenol ethers Phenoxy compounds Alkyl aryl ethers Vinylogous thioesters Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl 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 - Phenoxy compound - Phenol ether - Thiophenol ether - Aryl thioether - Alkyl aryl ether - Vinylogous thioester - Pyrimidine - Heteroaromatic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Thioether - Carboxylic acid derivative - Sulfenyl compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - 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