Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC(=O)CSC2=NN=C(COC3=CC=CC=C3)O2)=C1)C(=O)OC
InChIKey
InChIKey=LSSPNNBVRCWSRB-UHFFFAOYSA-N
Formula
C21H19N3O7S
Mass
457.46
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
m-Phthalate esters M-phthalic acid and derivatives Benzoic acid esters Anilides Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Dicarboxylic acids and derivatives 1,3,4-oxadiazoles Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Phthalate ester - Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Anilide - Phenol ether - Phenoxy compound - Aryl thioether - Benzoyl - N-arylamide - Alkyl aryl ether - Alkylarylthioether - Dicarboxylic acid or derivatives - 1,3,4-oxadiazole - Oxadiazole - Azole - Methyl ester - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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