AC1L6WRJ
methyl 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methyl-4-oxobut-2-enoate
Also Known As: 1-Azetidineacetic acid,2-(2-benzothiazolyldithio)-3-(benzoylamino)-a-(1-methyl-2-oxoethylidene)-4-oxo-, methyl ester,[2R-[1(Z),2a,3a]]- (9CI)|methyl 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methyl-4-oxobut-2-enoate
CAS: 59503-80-9
| Molecular Formula | C23H19N3O5S3 |
|---|---|
| Molecular Weight | 513.0487 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.0487 |
| Monoisotopic Mass | 513.0487 |
| Heavy Atoms | 34 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 59503-80-9 |
|---|---|
| SMILES | CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)C2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3)C=O |
| InChIKey | MKVCOWXRGHAFNE-UHFFFAOYSA-N |
Product Overview
AC1L6WRJ (CAS 59503-80-9), with molecular formula C23H19N3O5S3 and molecular weight 513.0487 g/mol. IUPAC: methyl 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methyl-4-oxobut-2-enoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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