Compound Identification
SMILES
COc1cccc(CNC(=O)c2nc3scc(-c4cc(ccc4-c4ccccc4)C(O)=O)c3c(=O)[nH]2)c1
InChIKey
InChIKey=VGOJUCBJYLRHJM-UHFFFAOYSA-N
Formula
C28H21N3O5S
Mass
511.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Benzoic acids Thienopyrimidines Pyrimidinecarboxylic acids and derivatives 2-heteroaryl carboxamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones Heteroaromatic compounds Thiophenes Lactams Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenyl - Pyrimidine-2-carboxylic acid or derivatives - Thienopyrimidine - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Methoxybenzene - 2-heteroaryl carboxamide - Phenol ether - Anisole - Phenoxy compound - Pyrimidone - Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Thiophene - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
Not available