Diethyl(1-benzothiophen-3-ylmethylidene)propanedioate
Basic information
- CAS
5381-31-7- Standard SMILES
CCOC(=O)C(=Cc1csc2ccccc12)C(=O)OCC- InChIKey
MFHBXWOQZMZIGJ-UHFFFAOYSA-N- Molecular formula
- C16H16O4S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.07693016
Names & identifiers
- Preferred name
- Diethyl(1-benzothiophen-3-ylmethylidene)propanedioate
- IUPAC
- diethyl 2-(1-benzothiophen-3-ylmethylidene)propanedioate
Names & synonyms
5381-31-7diethyl(1-benzothiophen-3-ylmethylidene)propanedioateNSC108968DTXSID60296366NSC-108968DS-000529Diethyl [(1-benzothiophen-3-yl)methylidene]propanedioateDIETHYL 2-(BENZOTHIOPHEN-3-YLMETHYLIDENE)PROPANEDIOATE
Database identifiers
- CAS
5381-31-7- PubChem CID
- 268657
- DTXSID
DTXSID60296366
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
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Related reactions
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Compound notes
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