Compound Identification
SMILES
COC1=CC(SCC2=C(O[C@@H](CC3=NC=CN3)C3=CC=CC=C3)C=CC3=C2CCCC3=O)=CC=C1
InChIKey
InChIKey=VMRKXWLHLDGXPJ-NDEPHWFRSA-N
Formula
C29H28N2O3S
Mass
484.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Thiophenol ethers Phenoxy compounds Methoxybenzenes Aryl alkyl ketones Anisoles Alkylarylthioethers Alkyl aryl ethers Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Aryl ketone - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Ketone - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Ether - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available