Compound Identification
SMILES
CCOC(=O)C1C(SCC)=C(SC1(C(=O)OCC)C1=NC=CC2=CC=CC=C12)C(=O)OC
InChIKey
InChIKey=YAGAYYAMTTXXIZ-UHFFFAOYSA-N
Formula
C23H25NO6S2
Mass
475.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Tricarboxylic acids and derivatives Vinylogous thioesters Pyridines and derivatives Benzenoids Methyl esters Heteroaromatic compounds Enoate esters Dihydrothiophenes Thioenol ethers Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Tricarboxylic acid or derivatives - Pyridine - Vinylogous thioester - Benzenoid - 2,3-dihydrothiophene - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Thioenolether - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available