Compound Identification
SMILES
COC1=CC=C(C=C1)N1N=C2C(CC1=O)CCS(=O)C1=CC=CC=C21
InChIKey
InChIKey=WYZWHLXKAOWVMM-UHFFFAOYSA-N
Formula
C19H18N2O3S
Mass
354.42
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
Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Pyridazinones Alkyl aryl ethers Sulfoxides Sulfinyl compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridazinone - Monocyclic benzene moiety - Benzenoid - Pyridazine - Sulfoxide - Carboxylic acid derivative - Ether - Azacycle - Sulfinyl compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - 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