Compound Identification
SMILES
COC(=O)C=C1SC2(OC1=NC1=CC=CC=C1)C1CC3CC(C1)CC2C3
InChIKey
InChIKey=DFIFNAVCWFDBBT-UHFFFAOYSA-N
Formula
C21H23NO3S
Mass
369.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioacetals
-
Subclass
Monothioacetals
- Level 5 Monothioketals
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Subclass
Monothioacetals
-
Class
Thioacetals
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioacetals
Subclass
Monothioacetals
Intermediate Tree Nodes
Not available
Direct Parent
Monothioketals
Alternative Parents
Vinylogous thioesters Benzene and substituted derivatives Oxathiolanes Methyl esters Enoate esters Thioenol ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Monothioketal - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Oxathiolane - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Thioenolether - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as monothioketals. These are compounds containing a monothioketal functional group with the general structure R2C(OR')(SR') with (R = any atom but H).
External Descriptors
Not available