Basic information
- Standard SMILES
CC(=O)S[C@@H]1CO[C@@H](CN(OCc2ccccc2)C(C)=O)C1- InChIKey
NCWQHGSCEINCLC-CVEARBPZSA-N- Molecular formula
- C16H21NO4S
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.11912932
Names & identifiers
- Preferred name
- Ethanethioic acid trans-(+/-)-S-[5-[[Acetyl(phenylmethoxy)amino]methyl]tetrahydro-3-furanyl]ester
- IUPAC
- S-[(3S,5R)-5-[[acetyl(phenylmethoxy)amino]methyl]oxolan-3-yl] ethanethioate
Names & synonyms
NCWQHGSCEINCLC-CVEARBPZSA-NEthanethioic acid trans-(+/-)-S-[5-[[Acetyl(phenylmethoxy)amino]methyl]tetrahydro-3-furanyl]ester
Database identifiers
- PubChem CID
- 86750754
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
Related reactions
4 records
Compound notes
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