Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate
Basic information
- CAS
23906-20-9- Standard SMILES
CCOC(=O)C(Cc1csc2ccccc12)(NC(C)=O)C(=O)OCC- InChIKey
ANXCOAFDJGTKTG-UHFFFAOYSA-N- Molecular formula
- C18H21NO5S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.11404394
Names & identifiers
- Preferred name
- Diethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioate
- IUPAC
- diethyl 2-acetamido-2-(1-benzothiophen-3-ylmethyl)propanedioate
- English name
- Diethyl 2-acetamido-2-(benzo(b)thiophene-3-ylmethyl)malonate
- Molecular formula
- C18H21NO5S
- Molecular weight
- 363.43
Names & synonyms
23906-20-9DIETHYL 2-ACETAMIDO-2-(BENZO(B)THIOPHENE-3-YLMETHYL)MALONATEdiethyl(acetylamino)(1-benzothiophen-3-ylmethyl)propanedioatediethyl 2-acetamido-2-(1-benzothiophen-3-ylmethyl)propanedioateDiethyl 2-acetamido-2-(benzo[b]thiophen-3-ylmethyl)malonate1,3-diethyl 2-[(1-benzothiophen-3-yl)methyl]-2-acetamidopropanedioateMFCD00090383NSC108952DTXSID00296360AKOS024324374NSC-108952AS-73902
Show more names
diethyl 2-acetamido-2-(benzo[b]thiophen-3-ylmethyl)malonate(WXC05328)Propanedioicacid, 2-(acetylamino)-2-(benzo[b]thien-3-ylmethyl)-, 1,3-diethyl ester
CS-0038650W13054Diethyl2-acetamido-2-(benzo[b]thiophen-3-ylmethyl)malonatediethyl 2-acetamido-2-(benzothiophen-3-ylmethyl)propanedioateDiethyl acetamido[(1-benzothiophen-3-yl)methyl]propanedioate
Database identifiers
- CAS
23906-20-9- PubChem CID
- 268644
- DTXSID
DTXSID00296360
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…