Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC(=O)CSC2=NN=C(O2)C2=CC(OC)=CC=C2)=C1)C(=O)OC
InChIKey
InChIKey=VWZIOZGEBXQOEL-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 Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes N-arylamides Alkylarylthioethers Alkyl aryl ethers Dicarboxylic acids and derivatives Heteroaromatic compounds Methyl esters 1,3,4-oxadiazoles Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Phthalate ester - Acylaminobenzoic acid or derivatives - Meta_phthalic_acid - Benzoate ester - Anilide - Phenol ether - N-arylamide - Phenoxy compound - Aryl thioether - Methoxybenzene - Benzoyl - Anisole - Alkylarylthioether - Alkyl aryl ether - Dicarboxylic acid or derivatives - 1,3,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Methyl ester - Azole - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Ether - Thioether - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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