Compound Identification
SMILES
COC1=C(OC)C=C(CC2(NCCS2)C(O)=O)C=C1
InChIKey
InChIKey=ZACAHTHNKVHGIQ-UHFFFAOYSA-N
Formula
C13H17NO4S
Mass
283.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Alpha amino acids and derivatives Amphetamines and derivatives Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Thiazolidines Amino acids Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Dialkylamines Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Secondary amine - Hemithioaminal - Thioether - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available