Compound Identification
SMILES
CO\C=C(\C(=O)OC)C1=CC=CC=C1COC1=C(C)SC(=N1)C(F)(F)Cl
InChIKey
InChIKey=XBELQQUXXFMJKI-UKTHLTGXSA-N
Formula
C17H16ClF2NO4S
Mass
403.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenyl-beta-methoxyacrylates
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenyl-beta-methoxyacrylates
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl-beta-methoxyacrylates
Alternative Parents
Styrenes 2,4,5-trisubstituted thiazoles Alkyl aryl ethers Vinylogous esters Enoate esters Methyl esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Alkyl fluorides Alkyl chlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-beta-methoxyacrylate - 2,4,5-trisubstituted 1,3-thiazole - Styrene - Alkyl aryl ether - Azole - Thiazole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Heteroaromatic compound - Carboxylic acid ester - Ether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alkyl halide - Alkyl fluoride - Alkyl chloride - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-beta-methoxyacrylates. These are aromatic compounds containing a methyl-3-methoxyacrylate moiety that carries a benzyl group at the C-alpha carbon.
External Descriptors
Not available