Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C2C(=O)N(CC3=CC=CC=C3)C(SC3=C(C=CC(=C3)[N+]([O-])=O)C(O)=O)=NC2=C1

InChIKey

InChIKey=BHHYPCRVXWRUHY-UHFFFAOYSA-N

Formula

C24H19N3O7S

Mass

493.49

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-pyrimidinylthiobenzoic acid - Nitrobenzoate - Diarylthioether - Diazanaphthalene - Quinazoline - O-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid - Nitrobenzene - Benzoyl - Anisole - Nitroaromatic compound - Thiophenol ether - Aryl thioether - Pyrimidone - Alkyl aryl ether - Vinylogous thioester - Pyrimidine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Lactam - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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

Previous Back Next