Basic information
- Standard SMILES
CCC(O/N=C(\C(=O)O)c1csc(N)n1)C(=O)OC(c1ccccc1)c1ccccc1- InChIKey
UBVMCBIQSBRUPS-BWAHOGKJSA-N- Molecular formula
- C22H21N3O5S
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-benzhydryloxy-1-oxobutan-2-yl)oxyiminoacetic acid
- IUPAC
- (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-benzhydryloxy-1-oxobutan-2-yl)oxyiminoacetic acid
Names & synonyms
SCHEMBL8973768
Database identifiers
- PubChem CID
- 23364414
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 617
Related reactions
2 records
Compound notes
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