Compound Identification
SMILES
CC(NC(=O)C1=C2OC3=CC=CC=C3SC2=CC=C1)C(O)=O
InChIKey
InChIKey=FCRUDFQNRPVFBU-UHFFFAOYSA-N
Formula
C16H13NO4S
Mass
315.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxathiins
- Subclass Phenoxathiins
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Class
Benzoxathiins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxathiins
Subclass
Phenoxathiins
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxathiins
Alternative Parents
N-acyl-alpha amino acids Diarylthioethers Diarylethers Alanine and derivatives Oxathiins Benzenoids Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxathiin - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Diaryl ether - Alanine or derivatives - Diarylthioether - Alpha-amino acid or derivatives - Aryl thioether - 1,4-oxathiin - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Thioether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxathiins. These are polycyclic aromatic compounds containing a phenoxathiin moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxathiin ring.
External Descriptors
Not available