Compound Identification
SMILES
COC1=C(OC)C(C(O)=O)=C(\C=N/NC2=NC(=O)[C@H](CC(=O)NC3=CC=C(C)C=C3)S2)C=C1
InChIKey
InChIKey=JYSLTCGRZLVMEU-FHLSJSRISA-N
Formula
C22H22N4O6S
Mass
470.5
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 Phenoxy compounds N-arylamides Anisoles Benzoyl derivatives Toluenes Alkyl aryl ethers Thiazolines Secondary carboxylic acid amides N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
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 - Toluene - Meta-thiazoline - N-acylimine - Secondary carboxylic acid amide - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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