Compound Identification
SMILES
CCOC(=O)C(=CNC1=C(SC(=C1)C(C)(C)C)C(C)=O)C(=O)C(F)(F)F
InChIKey
InChIKey=SQRRGJJUDPOZFJ-UHFFFAOYSA-N
Formula
C17H20F3NO4S
Mass
391.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
- Level 7 Aryl alkyl ketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones
Direct Parent
Aryl alkyl ketones
Alternative Parents
2,3,5-trisubstituted thiophenes Beta-keto acids and derivatives Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Aminothiophenes Vinylogous amides Acryloyl compounds Alpha-haloketones Enoate esters Enones Heteroaromatic compounds Monocarboxylic acids and derivatives Enamines Allylamines Organic oxides Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Beta-keto acid - Fatty acid ester - Keto acid - Aminothiophene - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Vinylogous amide - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Acryloyl-group - Thiophene - Alpha-haloketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Enamine - Carboxylic acid derivative - Allylamine - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Alkyl halide - Alkyl fluoride - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available