Compound Identification
SMILES
COC1=C(OC)C=C(CCN(C)C(=O)C2=C3CC(SC4=CC=CC=C4N3C(C)=CC2=O)C2=CC3=NC=CN=C3C=C2)C=C1
InChIKey
InChIKey=CEURTBHSVVNUOJ-UHFFFAOYSA-N
Formula
C34H32N4O4S
Mass
592.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
Dimethoxybenzenes Quinoxalines Pyridinecarboxylic acids and derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Methylpyridines Pyrazines Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous amides Amino acids and derivatives Cyclic ketones Tertiary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Quinoxaline - Dimethoxybenzene - O-dimethoxybenzene - Pyridine carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Alkyl aryl ether - Methylpyridine - Alkylarylthioether - Benzenoid - Pyrazine - Pyridine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Cyclic ketone - Carboxamide group - Tertiary amine - Azacycle - Thioether - Carboxylic acid derivative - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available