Compound Identification
SMILES
CCOC1=CC=C(NC2=NC(=C(CC([O-])=O)S2)C2=CC(OC)=C(OC)C=C2)C=C1
InChIKey
InChIKey=JLZANXDMTUWODA-UHFFFAOYSA-M
Formula
C21H21N2O5S
Mass
413.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Methoxybenzenes
- Level 5 Dimethoxybenzenes
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Subclass
Methoxybenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
2,4,5-trisubstituted thiazoles Phenoxy compounds Aniline and substituted anilines Anisoles Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Secondary amines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-dimethoxybenzene - Dimethoxybenzene - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Thiazole - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors
Not available