Compound Identification
SMILES
NC(CC1C2=CC=CC=C2SC2=CC=CC=C12)(C(O)=O)C12C3C4C1C1C2C3C41C(O)=O
InChIKey
InChIKey=WUEOGPKNJBFQRN-UHFFFAOYSA-N
Formula
C25H21NO4S
Mass
431.51
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 Aromatic monoterpenoids Alpha amino acids Aralkylamines Dicarboxylic acids and derivatives Benzenoids Amino acids Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthene - Diarylthioether - Alpha-amino acid - Alpha-amino acid or derivatives - Aromatic monoterpenoid - Monoterpenoid - Nopinane monoterpenoid - Aryl thioether - Aralkylamine - Benzenoid - Dicarboxylic acid or derivatives - Amino acid or derivatives - Amino acid - Thioether - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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