Compound Identification
SMILES
COC1=CC(C(=O)CSC2=NN=C(O2)[C@@H](C)OC2=CC=CC=C2F)=C(OC)C=C1
InChIKey
InChIKey=XFVGIOZCAFQZNS-GFCCVEGCSA-N
Formula
C20H19FN2O5S
Mass
418.44
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
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
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 - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Dimethoxybenzenes Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Aryl fluorides 1,3,4-oxadiazoles Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - P-dimethoxybenzene - Phenol ether - Benzoyl - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Anisole - Aryl thioether - Halobenzene - Alkylarylthioether - Fluorobenzene - Alkyl aryl ether - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available