Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)OC1=C(N(C)S(=O)(=O)C2=C1SC=C2)C(=O)NC1=CC=CC=N1
InChIKey
InChIKey=XHWXIBRWSGTWSD-UHFFFAOYSA-N
Formula
C21H17N3O6S2
Mass
471.5
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
P-methoxybenzoic acids and derivatives
Alternative Parents
Alpha amino acids and derivatives Benzoic acid esters Thienothiazines Anisoles Phenoxy compounds Benzoyl derivatives N-arylamides Methoxybenzenes Alkyl aryl ethers 1,2-thiazines Pyridines and derivatives Organosulfonamides Imidolactams Enol esters Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - Alpha-amino acid or derivatives - Benzoate ester - Thienothiazine - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Ortho-thiazine - Pyridine - Organosulfonic acid amide - Imidolactam - Organic sulfonic acid or derivatives - Thiophene - Organosulfonic acid or derivatives - Heteroaromatic compound - Enol ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available