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

Systemtic Name: (4-nitrophenyl)methyl (E)-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-oxidanylidene-azetidin-1-yl]-3-phenylazanyl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-anilino-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-oxo-azetidin-1-yl]but-2-enoate CAS Name: (E)-3-anilino-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-oxo-1-azetidinyl]-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-anilino-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-oxoazetidin-1-yl]but-2-enoate Traditional Name: (E)-3-anilino-2-[3-(1,3-benzothiazol-2-yldisulfanyl)-2-keto-azetidin-1-yl]but-2-enoic acid (4-nitrobenzyl) ester Formula: C27H22N4O5S3 MolecularWeight: 578.68238

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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)NC5=CC=CC=C5

Isomeric SMILES

C/C(=C(/C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])\N2CC(C2=O)SSC3=NC4=CC=CC=C4S3)/NC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O5S3/c1-17(28-19-7-3-2-4-8-19)24(26(33)36-16-18-11-13-20(14-12-18)31(34)35)30-15-23(25(30)32)38-39-27-29-21-9-5-6-10-22(21)37-27/h2-14,23,28H,15-16H2,1H3/b24-17+