Basic information
- CAS
161364-64-3- Standard SMILES
COc1ccccc1OCC1N(C(=O)CC(=O)O)CCS1=O- InChIKey
DZFYSYCITSELEY-UHFFFAOYSA-N- Molecular formula
- C14H17NO6S
- Average molar mass
- 327.35 g/mol
- Monoisotopic mass
- 327.07765844
Names & identifiers
- Preferred name
- 3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, 1-oxide
- IUPAC
- 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-3-oxopropanoic acid
- English name
- 3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, 1-oxide
- Molecular formula
- C14H17NO6S
- Molecular weight
- 327.35
Names & synonyms
161364-64-32-((2-Methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid 1-oxide3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, 1-oxideRefChem:2827213-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-3-oxopropanoic acidCHEMBL358831DTXSID909365013-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, 1-oxide3-{2-[(2-Methoxyphenoxy)methyl]-1-oxo-1lambda~4~,3-thiazolidin-3-yl}-3-oxopropanoic acid3-Thiazolidinepropanoic acid, 2-[(2-methoxyphenoxy)methyl]-β-oxo-, 1-oxide
Database identifiers
- CAS
161364-64-3- PubChem CID
- 3074752
- DTXSID
DTXSID90936501- ChEMBL
CHEMBL358831
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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