N-[2-(1,3-benzothiazol-2-yldisulfanyl)-1-[1,1-bis(oxidanyl)-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-3-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yldisulfanyl)-1-[1,1-bis(oxidanyl)-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yldisulfanyl)-1-[1-(dihydroxymethylene)-2-oxo-propyl]-4-oxo-azetidin-3-yl]-2-phenoxy-acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yldisulfanyl)-1-(1,1-dihydroxy-3-oxobut-1-en-2-yl)-4-oxo-3-azetidinyl]-2-phenoxyacetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yldisulfanyl)-1-(1,1-dihydroxy-3-oxobut-1-en-2-yl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide Traditional Name: N-[1-(1-acetyl-2,2-dihydroxy-vinyl)-2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-azetidin-3-yl]-2-phenoxy-acetamide Formula: C22H19N3O6S3 MolecularWeight: 517.59776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C(=C(O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O6S3/c1-12(26)18(21(29)30)25-19(28)17(24-16(27)11-31-13-7-3-2-4-8-13)20(25)33-34-22-23-14-9-5-6-10-15(14)32-22/h2-10,17,20,29-30H,11H2,1H3,(H,24,27)