Compound Identification
SMILES
COC(=O)C1=CC=C(C=C2SC(N(C2=O)C2=CC=CC=C2F)=C(C#N)C(=O)NCCN2CCOCC2)C=C1
InChIKey
InChIKey=SZXZOLAGQWYIMW-UHFFFAOYSA-N
Formula
C27H25FN4O5S
Mass
536.58
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoyl derivatives Fluorobenzenes Aryl fluorides Morpholines Vinylogous amides Thiazoles Methyl esters Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Nitriles Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Halobenzene - Fluorobenzene - Morpholine - Aryl fluoride - Aryl halide - Oxazinane - Azole - Heteroaromatic compound - Thiazole - Methyl ester - Vinylogous amide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Lactam - Carboxamide group - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Cyanide - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available