(3-oxidanylidene-1H-2-benzofuran-1-yl) (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-phenylazanyl-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-phenylazanyl-but-2-enoate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) (E)-3-anilino-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-azetidin-1-yl]but-2-enoate CAS Name: (E)-3-anilino-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-1-azetidinyl]-2-butenoic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) (E)-3-anilino-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]but-2-enoate Traditional Name: (E)-3-anilino-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-azetidin-1-yl]but-2-enoic acid phthalidyl ester Formula: C28H21N3O5S3 MolecularWeight: 575.67844

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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)NC6=CC=CC=C6

Isomeric SMILES

C/C(=C(/C(=O)OC1C2=CC=CC=C2C(=O)O1)\N3C(CC3=O)SSC4=NC5=CC=CC=C5S4)/NC6=CC=CC=C6

InChI

InChI=1S/C28H21N3O5S3/c1-16(29-17-9-3-2-4-10-17)24(26(34)36-27-19-12-6-5-11-18(19)25(33)35-27)31-22(32)15-23(31)38-39-28-30-20-13-7-8-14-21(20)37-28/h2-14,23,27,29H,15H2,1H3/b24-16+