Compound Identification
SMILES
CCC1=CC(C(=O)C2=CC(OC)=C(OC)C=C2)=C(NC(=O)CSCC(O)=O)S1
InChIKey
InChIKey=PSCLZPIVVJZBOG-UHFFFAOYSA-N
Formula
C19H21NO6S2
Mass
423.5
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
Phenylketones
- Level 8 Aryl-phenylketones
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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
Aryl-phenylketones
Alternative Parents
3-aroylthiophenes Dimethoxybenzenes 2,3,5-trisubstituted thiophenes Anisoles Benzoyl derivatives Thiophene carboxylic acids and derivatives N-arylamides Phenoxy compounds Alkyl aryl ethers Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Dialkylthioethers Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - 3-aroylthiophene - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Methoxybenzene - Anisole - Benzoyl - 2,3,5-trisubstituted thiophene - N-arylamide - Phenol ether - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Ether - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available