Compound Identification
SMILES
[Na+].COC1=CC=C(CC(CS)C(=O)NC2=CC=CC(=C2)C([O-])=O)C=C1
InChIKey
InChIKey=VVAFBHLDARBAKD-UHFFFAOYSA-M
Formula
C18H18NNaO4S
Mass
367.39
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 Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Fatty amides Carboxylic acid salts Secondary carboxylic acid amides Carboxylic acids Alkylthiols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoic acid - Anilide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Fatty acyl - Fatty amide - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Alkylthiol - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Organic sodium salt - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic 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