Compound Identification
SMILES
OC1(CCSCC1)C(C(=O)OCCN1CCCCC1)C1=CC=CC=C1
InChIKey
InChIKey=YFISNCVTMLVPGF-UHFFFAOYSA-N
Formula
C20H29NO3S
Mass
363.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thianes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thianes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thianes
Alternative Parents
Piperidines Benzene and substituted derivatives Tertiary alcohols Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Piperidine - Thiane - Benzenoid - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Dialkylthioether - Thioether - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one sulfur atom.
External Descriptors
Not available