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

Systemtic Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-morpholin-4-yl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxo-azetidin-1-yl]-3-morpholino-but-2-enoate CAS Name: (E)-2-[3-acetamido-2-[[cyclopropylmethoxy(oxo)methyl]thio]-4-oxo-1-azetidinyl]-3-(4-morpholinyl)-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxoazetidin-1-yl]-3-morpholin-4-ylbut-2-enoate Traditional Name: (E)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylthio)-4-keto-azetidin-1-yl]-3-morpholino-but-2-enoic acid (4-nitrobenzyl) ester Formula: C25H30N4O9S MolecularWeight: 562.5921

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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)N4CCOCC4

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)/N4CCOCC4

InChI

InChI=1S/C25H30N4O9S/c1-15(27-9-11-36-12-10-27)21(24(32)37-13-18-5-7-19(8-6-18)29(34)35)28-22(31)20(26-16(2)30)23(28)39-25(33)38-14-17-3-4-17/h5-8,17,20,23H,3-4,9-14H2,1-2H3,(H,26,30)/b21-15+