Compound Identification
SMILES
COC1=C(OC)C(C([O-])=O)=C(C=NNC2=NC(=O)C(CC(=O)NC3=CC=CC=C3)S2)C=C1
InChIKey
InChIKey=CQVCIBLDOOBUFU-UHFFFAOYSA-M
Formula
C21H19N4O6S
Mass
455.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
O-methoxybenzoic acids and derivatives
Alternative Parents
M-methoxybenzoic acids and derivatives Dimethoxybenzenes Anilides Benzoic acids N-arylamides Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Thiazolines N-acylimines Secondary carboxylic acid amides Carboxylic acid salts Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Benzoic acid - Anilide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Meta-thiazoline - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - N-acylimine - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available