Compound Identification
SMILES
NC(C(O)=O)C(S)(C1CC1)C1=CC=C(F)C=C1
InChIKey
InChIKey=GBQVIZNSNWTKBK-UHFFFAOYSA-N
Formula
C12H14FNO2S
Mass
255.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Alpha amino acids Carbocyclic fatty acids Thia fatty acids Fluorobenzenes Aralkylamines Aryl fluorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Carbocyclic fatty acid - Fluorobenzene - Halobenzene - Aralkylamine - Thia fatty acid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Amino acid or derivatives - Amino acid - Alkylthiol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Amine - Primary amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available