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

Systemtic Name: (4-nitrophenyl)methyl (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoate CAS Name: (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-methylsulfonyloxy-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylsulfonyloxybut-2-enoate Traditional Name: (E)-2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoic acid (4-nitrobenzyl) ester Formula: C30H26N4O9S4 MolecularWeight: 714.80884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SSC4=NC5=CC=CC=C5S4)OS(=O)(=O)C

Isomeric SMILES

C/C(=C(/C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])\N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SSC4=NC5=CC=CC=C5S4)/OS(=O)(=O)C

InChI

InChI=1S/C30H26N4O9S4/c1-18(43-47(2,40)41)26(29(37)42-17-20-12-14-21(15-13-20)34(38)39)33-27(36)25(32-24(35)16-19-8-4-3-5-9-19)28(33)45-46-30-31-22-10-6-7-11-23(22)44-30/h3-15,25,28H,16-17H2,1-2H3,(H,32,35)/b26-18+