(3-oxidanylidene-1H-2-benzofuran-1-yl) (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methylsulfonyl-but-2-enoate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methylsulfonyl-but-2-enoate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-azetidin-1-yl]-3-methylsulfonyl-but-2-enoate CAS Name: (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-1-azetidinyl]-3-methylsulfonyl-2-butenoic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methylsulfonylbut-2-enoate Traditional Name: (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-azetidin-1-yl]-3-mesyl-but-2-enoic acid phthalidyl ester Formula: C23H18N2O7S4 MolecularWeight: 562.65822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC1C2=CC=CC=C2C(=O)O1)N3C(CC3=O)SSC4=NC5=CC=CC=C5S4)S(=O)(=O)C

Isomeric SMILES

C/C(=C(/C(=O)OC1C2=CC=CC=C2C(=O)O1)\N3C(CC3=O)SSC4=NC5=CC=CC=C5S4)/S(=O)(=O)C

InChI

InChI=1S/C23H18N2O7S4/c1-12(36(2,29)30)19(21(28)32-22-14-8-4-3-7-13(14)20(27)31-22)25-17(26)11-18(25)34-35-23-24-15-9-5-6-10-16(15)33-23/h3-10,18,22H,11H2,1-2H3/b19-12+