Basic information
- Standard SMILES
CCOC(=O)C(=NOC)C(=O)CSc1cccc(OC)c1- InChIKey
HAONOPRLBUUFJQ-UHFFFAOYSA-N- Molecular formula
- C14H17NO5S
- Average molar mass
- 311.36 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-methoxyimino-3-oxo-4-(3-methoxyphenylthio)butyrate
- IUPAC
- ethyl 2-methoxyimino-4-(3-methoxyphenyl)sulfanyl-3-oxobutanoate
Names & synonyms
SCHEMBL10988101HAONOPRLBUUFJQ-UHFFFAOYSA-Nethyl 2-methoxyimino-3-oxo-4-(3-methoxyphenylthio)butyrate
Database identifiers
- PubChem CID
- 53867170
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
2 records
Compound notes
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