Compound Identification
SMILES
COCCOC(=O)C1=C(NC(=O)COC(=O)C2=CC(OC)=C(C)C(OC)=C2)SC(C(N)=O)=C1C
InChIKey
InChIKey=YJAXGZOVRJVMFG-UHFFFAOYSA-N
Formula
C22H26N2O9S
Mass
494.52
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
M-methoxybenzoic acids and derivatives
Alternative Parents
Benzoic acid esters Dimethoxybenzenes 2-heteroaryl carboxamides Anisoles Benzoyl derivatives N-arylamides Phenoxy compounds Thiophene carboxamides Toluenes Alkyl aryl ethers Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Primary carboxylic acid amides Secondary carboxylic acid amides Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - Benzoate ester - Dimethoxybenzene - M-dimethoxybenzene - Anisole - 2-heteroaryl carboxamide - Benzoyl - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Phenoxy compound - Methoxybenzene - Toluene - Alkyl aryl ether - Thiophene - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available