Compound Identification
SMILES
CC[C@@H](C)[C@H](NC(=O)C1=CC2=C(C=C1)C(=O)C1=CC=CC=C1S2(=O)=O)C(=O)OC
InChIKey
InChIKey=XGTZHPJLTRALAZ-XIKOKIGWSA-N
Formula
C21H21NO6S
Mass
415.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiopyrans
-
Subclass
1-benzothiopyrans
-
Level 5
Thioxanthenes
- Level 6 Thioxanthones
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Level 5
Thioxanthenes
-
Subclass
1-benzothiopyrans
-
Class
Benzothiopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiopyrans
Subclass
1-benzothiopyrans
Intermediate Tree Nodes
Thioxanthenes
Direct Parent
Thioxanthones
Alternative Parents
Isoleucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Aryl ketones Fatty acid esters Benzenoids Sulfones Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthone - Isoleucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl ketone - Fatty acid ester - Fatty acyl - Benzenoid - Methyl ester - Sulfone - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthones. These are compounds containing a thioxanthene moiety which bears an ketone group.
External Descriptors
Not available