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

Systemtic Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methoxycarbonyloxy-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxo-azetidin-1-yl]-3-methoxycarbonyloxy-but-2-enoate CAS Name: (E)-2-[3-acetamido-2-[[cyclopropylmethoxy(oxo)methyl]thio]-4-oxo-1-azetidinyl]-3-methoxycarbonyloxy-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxoazetidin-1-yl]-3-methoxycarbonyloxybut-2-enoate Traditional Name: (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylthio)-4-keto-azetidin-1-yl]-3-carbomethoxyoxy-but-2-enoic acid (4-nitrobenzyl) ester Formula: C23H25N3O11S MolecularWeight: 551.5231

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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)C)SC(=O)OCC3CC3)OC(=O)OC

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)/OC(=O)OC

InChI

InChI=1S/C23H25N3O11S/c1-12(37-22(30)34-3)18(21(29)35-10-15-6-8-16(9-7-15)26(32)33)25-19(28)17(24-13(2)27)20(25)38-23(31)36-11-14-4-5-14/h6-9,14,17,20H,4-5,10-11H2,1-3H3,(H,24,27)/b18-12+