Compound Identification
SMILES
CCOC(=O)CCNC(=O)C1=CC(C)=CC2=C1OC1=C(S2)C=C(C)C=C1C(=O)NCCC(=O)OCC
InChIKey
InChIKey=YNRQEGRCFMMXQA-UHFFFAOYSA-N
Formula
C26H30N2O7S
Mass
514.59
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
Diarylthioethers Diarylethers Beta amino acids and derivatives Oxathiins Dicarboxylic acids and derivatives Benzenoids Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxathiin - Beta amino acid or derivatives - Diaryl ether - Diarylthioether - Aryl thioether - Dicarboxylic acid or derivatives - 1,4-oxathiin - Benzenoid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Oxacycle - Ether - Carboxylic acid derivative - Thioether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organopnictogen 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