Compound Identification
SMILES
ClC1=CC=C(S1)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NCCN1C(=O)CSC1=O
InChIKey
InChIKey=HERJEBQYTVTUKX-UHFFFAOYSA-N
Formula
C21H16ClN3O5S2
Mass
489.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinolines and derivatives
Alternative Parents
Pyridinecarboxylic acids Thiazolidinediones 2,5-disubstituted thiophenes Aryl chlorides Benzenoids Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Thiazolidinedione - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Thiazolidine - Heteroaromatic compound - Thiophene - Dicarboximide - Thiocarbamic acid derivative - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
External Descriptors
Not available