Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1SC2=C(C=C(C=C2)C(F)(F)F)N2C(CN(C)C)=CC=C2[C@@H]1OC(C)=O
InChIKey
InChIKey=CHQAHVVWAOKDEA-ZEQRLZLVSA-N
Formula
C25H25F3N2O3S
Mass
490.54
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Aralkylamines Substituted pyrroles Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Anisole - Phenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Azacycle - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - 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