(4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxo-azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoate CAS Name: (E)-2-[3-acetamido-2-[[cyclopropylmethoxy(oxo)methyl]thio]-4-oxo-1-azetidinyl]-3-methylsulfonyloxy-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxoazetidin-1-yl]-3-methylsulfonyloxybut-2-enoate Traditional Name: (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylthio)-4-keto-azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoic acid (4-nitrobenzyl) ester Formula: C22H25N3O11S2 MolecularWeight: 571.5774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)C)SC(=O)OCC3CC3)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)C)SC(=O)OCC3CC3)/OS(=O)(=O)C

InChI

InChI=1S/C22H25N3O11S2/c1-12(36-38(3,32)33)18(21(28)34-10-15-6-8-16(9-7-15)25(30)31)24-19(27)17(23-13(2)26)20(24)37-22(29)35-11-14-4-5-14/h6-9,14,17,20H,4-5,10-11H2,1-3H3,(H,23,26)/b18-12+