Basic information
- CAS
93599-18-9- Standard SMILES
CCOC(=O)CO/N=C(\C)c1ccc(-c2ccc(CC)cc2)s1- InChIKey
KCACPLAOBUNUNU-CPNJWEJPSA-N- Molecular formula
- C18H21NO3S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.12421471
Names & identifiers
- Preferred name
- Acetic acid, (((1-(5-(4-ethylphenyl)-2-thienyl)ethylidene)amino)oxy)-, ethyl ester
- IUPAC
- ethyl 2-[(E)-1-[5-(4-ethylphenyl)thiophen-2-yl]ethylideneamino]oxyacetate
Names & synonyms
Acetic acid, (((1-(5-(4-ethylphenyl)-2-thienyl)ethylidene)amino)oxy)-, ethyl ester93599-18-9RefChem:1075504BRN 4513080(((1-(5-(4-Ethylphenyl)-2-thienyl)ethylidene)amino)oxy)acetic acid ethyl ester
Database identifiers
- CAS
93599-18-9- PubChem CID
- 9570902
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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