(4-nitrophenyl)methyl (E)-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-oxidanylidene-azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-oxidanylidene-azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-oxo-azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoate CAS Name: (E)-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-oxo-1-azetidinyl]-3-methylsulfonyloxy-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-oxoazetidin-1-yl]-3-methylsulfonyloxybut-2-enoate Traditional Name: (E)-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-keto-azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoic acid (4-nitrobenzyl) ester Formula: C22H19N3O8S4 MolecularWeight: 581.66156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2CC(C2=O)SSC3=NC4=CC=CC=C4S3)OS(=O)(=O)C

Isomeric SMILES

C/C(=C(/C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])\N2CC(C2=O)SSC3=NC4=CC=CC=C4S3)/OS(=O)(=O)C

InChI

InChI=1S/C22H19N3O8S4/c1-13(33-37(2,30)31)19(21(27)32-12-14-7-9-15(10-8-14)25(28)29)24-11-18(20(24)26)35-36-22-23-16-5-3-4-6-17(16)34-22/h3-10,18H,11-12H2,1-2H3/b19-13+