Compound Identification
SMILES
COC1=C(OC)C=C(C(=O)OCC=C)C(NC(=O)[C@H]2C[C@@H](CN2)[C@H](C(S)=O)C(=O)OCC=C)=C1
InChIKey
InChIKey=HQRAYJMQRQRCIQ-CRFBAAHOSA-N
Formula
C23H28N2O8S
Mass
492.54
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
Proline and derivatives Alpha amino acid amides M-methoxybenzoic acids and derivatives P-methoxybenzoic acids and derivatives Dimethoxybenzenes Benzoic acid esters Anilides Methoxyanilines N-arylamides Benzoyl derivatives Pyrrolidinecarboxamides Anisoles Phenoxy compounds Alkyl aryl ethers 1,3-dicarbonyl compounds Vinylogous amides Secondary carboxylic acid amides Carboxylic acid esters Carbothioic S-acids Carbodithioic acids Thiocarboxylic acids and derivatives Alkylthiols Azacyclic compounds Dialkylamines Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Proline or derivatives - Alpha-amino acid amide - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Alpha-amino acid or derivatives - Benzoate ester - O-dimethoxybenzene - Dimethoxybenzene - Anilide - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-arylamide - Methoxybenzene - Alkyl aryl ether - 1,3-dicarbonyl compound - Vinylogous amide - Pyrrolidine - Amino acid or derivatives - Secondary carboxylic acid amide - Carbodithioic acid - Carbothioic s-acid - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Alkylthiol - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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