Compound Identification
SMILES
OC1=C(SC2=NC3=CC=CC=C3S2)C(OC1=O)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=RYUPEKIQVKOLDS-UHFFFAOYSA-N
Formula
C18H11NO4S2
Mass
369.41
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 Alkyl-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
Alkyl-phenylketones
Alternative Parents
Benzothiazoles Aryl alkyl ketones Aryl thioethers Benzoyl derivatives Alpha-acyloxy ketones Vinylogous thioesters Butenolides Thiazoles Heteroaromatic compounds Enoate esters Thioenol ethers Lactones Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1,3-benzothiazole - Aryl alkyl ketone - Aryl thioether - Benzoyl - Alpha-acyloxy ketone - Benzenoid - Monocyclic benzene moiety - Vinylogous thioester - 2-furanone - Dihydrofuran - Azole - Thiazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Thioenolether - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available