Basic information
- CAS
36958-87-9- Standard SMILES
CCOC(=O)/C=C1\SCC(=O)N1CC- InChIKey
JYTPTLJKVSVQDW-YVMONPNESA-N- Molecular formula
- C9H13NO3S
- Average molar mass
- 215.27 g/mol
- Monoisotopic mass
- 215.06161445
Names & identifiers
- Preferred name
- delta(sup 2,alpha)-Thiazolidineacetic acid, 3-ethyl-4-oxo-, ethyl ester
- IUPAC
- ethyl (2Z)-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetate
Names & synonyms
delta(sup 2,alpha)-Thiazolidineacetic acid, 3-ethyl-4-oxo-, ethyl esterRefChem:1083102Ethyl (3-ethyl-4-oxothiazolidin-2-ylidene)acetateEINECS 253-289-22-(3-Ethyl-4-oxo-2-thiazolidinylidene)acetic acid ethyl esterAcetic acid, 2-(3-ethyl-4-oxo-2-thiazolidinylidene)-, ethyl esterSCHEMBL13899728JYTPTLJKVSVQDW-YVMONPNESA-N
Database identifiers
- CAS
36958-87-9- PubChem CID
- 6444352
- EC Number
- 253-289-2
- Nikkaji
- J48.802J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…