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

Systemtic Name: (4-nitrophenyl)methyl (2R)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl (2R)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: (2R)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: (2R)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C22H19N3O5S3 MolecularWeight: 501.59836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)SSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=C)[C@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)SSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O5S3/c1-13(2)20(21(27)30-12-14-7-9-15(10-8-14)25(28)29)24-18(26)11-19(24)32-33-22-23-16-5-3-4-6-17(16)31-22/h3-10,19-20H,1,11-12H2,2H3/t19?,20-/m1/s1