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

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid phthalidyl ester Formula: C23H18N2O5S3 MolecularWeight: 498.59442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O5S3/c1-12(2)19(21(28)30-22-14-8-4-3-7-13(14)20(27)29-22)25-17(26)11-18(25)32-33-23-24-15-9-5-6-10-16(15)31-23/h3-10,18-19,22H,1,11H2,2H3