Basic information
- Standard SMILES
C=C(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(C)=O)(Oc2ccccc2)C1SSc1nc2ccccc2s1- InChIKey
VFWDCKOLBVPCCJ-UHFFFAOYSA-N- Molecular formula
- C36H31N3O5S3
- Average molar mass
- 681.8 g/mol
- Monoisotopic mass
- 681.14258462
Names & identifiers
- Preferred name
- 2-[4-(Benzthiazol-2-yldithio)-2-oxo-3-phenoxyacetaminoazetidin-1-yl]-3-methyl-3-butenoic acid diphenylmethyl ester
- IUPAC
- benzhydryl 2-[3-acetamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-phenoxyazetidin-1-yl]-3-methylbut-3-enoate
Names & synonyms
SCHEMBL10908943VFWDCKOLBVPCCJ-UHFFFAOYSA-N2-[4-(benzthiazol-2-yldithio)-2-oxo-3-phenoxyacetaminoazetidin-1 -yl]-3-methyl-3-butenoic acid diphenylmethyl ester
Database identifiers
- PubChem CID
- 86740784
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
1 records
Compound notes
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