Basic information
- CAS
59713-52-9- Standard SMILES
CCOC(=O)C(=CNc1cccs1)C(=O)OCC- InChIKey
JKQYRYWAORDDQT-UHFFFAOYSA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.07217913
Names & identifiers
- Preferred name
- Propanedioic acid, [(2-thienylamino)methylene]-, diethyl ester
- IUPAC
- diethyl 2-[(thiophen-2-ylamino)methylidene]propanedioate
Names & synonyms
59713-52-9Propanedioic acid, [(2-thienylamino)methylene]-, diethyl esterSCHEMBL13778434DTXSID60469513DB-407155diethyl 2-[(thiophen-2-ylamino)methylene]malonate1,3-Diethyl 2-[(2-thienylamino)methylene]propanedioateDiethyl {[(thiophen-2-yl)amino]methylidene}propanedioate
Database identifiers
- CAS
59713-52-9- PubChem CID
- 11615981
- DTXSID
DTXSID60469513
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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