Compound Identification
SMILES
CCCCCCCC\C=C/CCCCCCC(N1CCN(CC\C=C2\C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1)C(=O)OCC
InChIKey
InChIKey=VJGPTRNEXYYOBB-QKCKFDDGSA-N
Formula
C41H57F3N2O2S
Mass
698.97
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Benzothiopyrans
-
Subclass
1-benzothiopyrans
- Level 5 Thioxanthenes
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Subclass
1-benzothiopyrans
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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
Alpha amino acid esters Diarylthioethers N-alkylpiperazines Fatty acid esters Benzenoids Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthene - Alpha-amino acid ester - Diarylthioether - Alpha-amino acid or derivatives - Aryl thioether - N-alkylpiperazine - Fatty acid ester - 1,4-diazinane - Fatty acyl - Benzenoid - Piperazine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Thioether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organic oxide - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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