Compound Identification
SMILES
O=C(CSC1=NNC(O1)=C1C=CC(=O)C=C1)N1CCOCC1
InChIKey
InChIKey=UAYXAHNZSGCGMT-UHFFFAOYSA-N
Formula
C14H15N3O4S
Mass
321.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 P-quinomethanes
-
Level 7
Quinomethanes
-
Level 6
Cyclic 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 - Cyclic ketones - Quinomethanes
Direct Parent
P-quinomethanes
Alternative Parents
Morpholines Tertiary carboxylic acid amides Monothioacetals Ketene acetals Sulfenyl compounds Oxacyclic compounds Hydrazones Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
P-quinomethane - Morpholine - Oxazinane - Monothioacetal - Tertiary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrazone - Oxacycle - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available