Compound Identification
SMILES
CCOC(=O)C1=C(N)SC2=C1CCCCC2
InChIKey
InChIKey=XTUHIGALMIGZST-UHFFFAOYSA-N
Formula
C12H17NO2S
Mass
239.33
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
3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - 2-aminothiophene - Thiophene - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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