2-(Dimethylamino)ethyl 5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetate
Basic information
- CAS
747397-66-6- Standard SMILES
COc1ccc(C=C2SC(=S)N(CC(=O)OCCN(C)C)C2=O)cc1- InChIKey
JQLIPPHGBLEAJW-UHFFFAOYSA-N- Molecular formula
- C17H20N2O4S2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.08644947
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl 5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetate
- IUPAC
- 2-(dimethylamino)ethyl 2-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Names & synonyms
CBMicro_024566DTXSID0011220472-(Dimethylamino)ethyl 5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetate747397-66-62-(Dimethylamino)ethyl {5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate
Database identifiers
- CAS
747397-66-6- PubChem CID
- 1369082
- DTXSID
DTXSID001122047
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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