Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SC(=CC3=CC=C(C=C3)C(O)=O)C(=O)N2C1C1=CC(OCC)=C(OCC=C)C=C1
InChIKey
InChIKey=JIDVLQJILQBICR-UHFFFAOYSA-N
Formula
C29H28N2O7S
Mass
548.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Thiazoles Enoate esters Heteroaromatic compounds Lactams Isothioureas Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Azole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Carboxylic acid ester - Isothiourea - Lactam - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available