Compound Identification
SMILES
CC(=O)NC1=C(C(O)=O)C2=C(CCCCC2)S1
InChIKey
InChIKey=DEDWHJVDTMELPW-UHFFFAOYSA-N
Formula
C12H15NO3S
Mass
253.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptathiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptathiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptathiophenes
Alternative Parents
N-acetylarylamines Thiophene carboxylic acids Vinylogous amides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - N-acetylarylamine - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - N-arylamide - Heteroaromatic compound - Acetamide - Vinylogous amide - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors
Not available