Compound Identification
SMILES
COC(=O)CC(=CC1(C#N)C2=CC=CC=C2SC2=CC=CC=C12)C(=O)OC
InChIKey
InChIKey=UBJSJPWYDATLTQ-UHFFFAOYSA-N
Formula
C21H17NO4S
Mass
379.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiopyrans
-
Subclass
1-benzothiopyrans
- Level 5 Thioxanthenes
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Subclass
1-benzothiopyrans
-
Class
Benzothiopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiopyrans
Subclass
1-benzothiopyrans
Intermediate Tree Nodes
Not available
Direct Parent
Thioxanthenes
Alternative Parents
Diarylthioethers Fatty acid methyl esters Dicarboxylic acids and derivatives Benzenoids Methyl esters Enoate esters Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthene - Diarylthioether - Aryl thioether - Fatty acid ester - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Thioether - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.
External Descriptors
Not available