Compound Identification
SMILES
COC1=CC=C(CN2C(=O)C[C@@H](SC2=NC2=CC=C(OC)C=C2)C(=O)NC2=CC=CC(=C2)C([O-])=O)C=C1
InChIKey
InChIKey=NDXYYOKRYHXYOA-HSZRJFAPSA-M
Formula
C27H24N3O6S
Mass
518.56
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
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Anilides Benzoic acids Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Thiazinanes Isothioureas Carboxylic acid salts Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoic acid - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - 1,3-thiazinane - Carboxamide group - Carboxylic acid salt - Isothiourea - Secondary carboxylic acid amide - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available