Compound Identification
SMILES
CC1=CC=C(S1)C(=O)COC(=O)C(=C\C1=C(C)N(C[C@@H]2CCCO2)C(C)=C1)\C#N
InChIKey
InChIKey=JHAMZWXQASIYSZ-VBIXMBBUSA-N
Formula
C22H24N2O4S
Mass
412.5
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
Fatty acid esters Alpha-acyloxy ketones 2,5-disubstituted thiophenes Substituted pyrroles Oxolanes Heteroaromatic compounds Enoate esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - Fatty acid ester - 2,5-disubstituted thiophene - Alpha-acyloxy ketone - Substituted pyrrole - Fatty acyl - Oxolane - Pyrrole - Heteroaromatic compound - Thiophene - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - 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