Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(=O)COC(=O)C1=CC=C(C=C1)N1C(=O)CC(SC2=C(C#N)C(=CC(=N2)C2=CC=CC=C2)C2=C(OC)C=CC(OC)=C2)C1=O
InChIKey
InChIKey=DFMWUVXMJNYFOK-UHFFFAOYSA-N
Formula
C41H33N3O8S
Mass
727.79
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
Alkyl-phenylketones Phenylpyridines Phenylpyrrolidines Benzoic acid esters Dimethoxybenzenes 3-pyridinecarbonitriles Aryl alkyl ketones Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Alkylarylthioethers Pyrrolidine-2-ones N-substituted carboxylic acid imides Dicarboximides Pyrroles Heteroaromatic compounds Carboxylic acid esters Lactams Sulfenyl compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acylaminobenzoic acid or derivatives - 4-phenylpyridine - 2-phenylpyridine - 1-phenylpyrrolidine - Benzoate ester - Dimethoxybenzene - P-dimethoxybenzene - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - 3-pyridinecarbonitrile - Anisole - Methoxybenzene - Aryl thioether - Phenol ether - Phenoxy compound - Alkylarylthioether - Alkyl aryl ether - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Pyridine - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Pyrrole - Pyrrolidine - Carboxylic acid ester - Lactam - Ketone - Azacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Ether - Cyanide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organopnictogen 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