Compound Identification
SMILES
COC(=O)C1=C(C2C3=CC=CC=C3SC12C(=O)OC)N1CCCC1
InChIKey
InChIKey=WEPFRJIQIIGTEM-UHFFFAOYSA-N
Formula
C18H19NO4S
Mass
345.41
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
Alkylarylthioethers Dicarboxylic acids and derivatives Benzenoids Vinylogous amides Pyrrolidines Methyl esters Enoate esters Trialkylamines Amino acids and derivatives Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aryl thioether - Alkylarylthioether - Dicarboxylic acid or derivatives - Benzenoid - Pyrrolidine - Methyl ester - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Enamine - Carboxylic acid derivative - Thioether - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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