Compound Identification
SMILES
COC(=O)C1CCCC2=C(C=C(C)S2)C1=O
InChIKey
InChIKey=TXFANBOQFUFDFA-UHFFFAOYSA-N
Formula
C12H14O3S
Mass
238.3
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
Aryl alkyl ketones 2,3,5-trisubstituted thiophenes 1,3-dicarbonyl compounds Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - 2,3,5-trisubstituted thiophene - Aryl ketone - Aryl alkyl ketone - 1,3-dicarbonyl compound - Methyl ester - Thiophene - Heteroaromatic compound - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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