Compound Identification
SMILES
COC(=O)CC1=CC2=C(SC3=C(CC2=O)C=CC=N3)C=C1
InChIKey
InChIKey=DLQBYMPMDDTKKF-UHFFFAOYSA-N
Formula
C16H13NO3S
Mass
299.34
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
Diarylthioethers Aryl alkyl ketones Vinylogous thioesters Pyridines and derivatives Benzenoids Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Diarylthioether - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Pyridine - Benzenoid - Vinylogous thioester - Methyl ester - Heteroaromatic compound - Ketone - Carboxylic acid ester - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen 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