Compound Identification
SMILES
COC1=CC(C(=O)O[C@@H](C)C(=O)NC2=NC(=CS2)C2=CC=CC=C2)=C(O)C=C1
InChIKey
InChIKey=LJIRJYWFCMSJKY-LBPRGKRZSA-N
Formula
C20H18N2O5S
Mass
398.43
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
o-Hydroxybenzoic acid esters Salicylic acid and derivatives Methoxyphenols 4-alkoxyphenols Phenoxy compounds N-arylamides Methoxybenzenes Benzoyl derivatives Anisoles 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Methoxyphenol - Salicylic acid or derivatives - Benzoate ester - 4-alkoxyphenol - Anisole - Methoxybenzene - Benzoyl - N-arylamide - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Azole - Heteroaromatic compound - Vinylogous acid - Thiazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen 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