Compound Identification
SMILES
COC(=O)C1=C(NC2=NC3=CC=CC=C3N=C2NS(C)(=O)=O)C=C(OC)C=C1
InChIKey
InChIKey=IZDRDGPCUQILRE-UHFFFAOYSA-N
Formula
C18H18N4O5S
Mass
402.43
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
P-methoxybenzoic acids and derivatives
Alternative Parents
Quinoxalines Benzoic acid esters Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Aminopyrazines Organosulfonamides Organic sulfonamides Imidolactams Heteroaromatic compounds Vinylogous amides Aminosulfonyl compounds Methyl esters Amino acids and derivatives Azacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - Benzoate ester - Quinoxaline - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrazine - Pyrazine - Imidolactam - Organic sulfonic acid amide - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Methyl ester - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen 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