Compound Identification
SMILES
CC1(C)CC2=C(CO1)SC(NC(=O)CCl)=C2C#N
InChIKey
InChIKey=VRQWIUZWWJIQPS-UHFFFAOYSA-N
Formula
C12H13ClN2O2S
Mass
284.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyrans
Alternative Parents
N-arylamides Pyrans Thiophenes Heteroaromatic compounds Chloroacetamides Secondary carboxylic acid amides Oxacyclic compounds Nitriles Dialkyl ethers Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyran - N-arylamide - Pyran - Chloroacetamide - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Alkyl chloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyrans. These are heterocyclic compounds containing a thiophene ring fused to a pyran ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
External Descriptors
Not available