Basic information
- Standard SMILES
CCOC(=O)CCNC(=O)/C(=C\c1ccccc1)CSC(C)=O- InChIKey
BJBPMFUMRXSPEY-PTNGSMBKSA-N- Molecular formula
- C17H21NO4S
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- ethyl N-(E)-[1-oxo-2-(acetylthiomethyl)-3-phenylpropenyl]-beta-alaninate
- IUPAC
- ethyl 3-[[(E)-2-(acetylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]propanoate
Names & synonyms
SCHEMBL8865357BJBPMFUMRXSPEY-PTNGSMBKSA-Nethyl N-(E)-[1-oxo-2-(acetylthiomethyl)-3-phenylpropenyl]-beta-alaninate
Database identifiers
- PubChem CID
- 19037101
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
2 records
Compound notes
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