Compound Identification
SMILES
COC(=O)C1=C(NC(=O)CCl)SC2=C1CCCCC2
InChIKey
InChIKey=QHLZGKBAMUAJHD-UHFFFAOYSA-N
Formula
C13H16ClNO3S
Mass
301.79
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
Thiophene carboxylic acids and derivatives N-arylamides Vinylogous amides Methyl esters Heteroaromatic compounds Chloroacetamides Secondary carboxylic acid amides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Thiophene carboxylic acid or derivatives - N-arylamide - Chloroacetamide - Thiophene - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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