Compound Identification
SMILES
COCC1(C)CCCSC2=C1C=CC(=C2)C#CC1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=SEDHSETVCZKXNR-UHFFFAOYSA-N
Formula
C22H22O3S
Mass
366.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Benzoic acids Benzoyl derivatives Alkylarylthioethers Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Benzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Thioether - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available