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

Systemtic Name: (4-nitrophenyl)methyl (Z)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxidanylidene-azetidin-1-yl]-4-bromanyl-3-morpholin-4-yl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxo-azetidin-1-yl]-4-bromo-3-morpholino-but-2-enoate CAS Name: (Z)-2-[3-acetamido-2-[[cyclopropylmethoxy(oxo)methyl]thio]-4-oxo-1-azetidinyl]-4-bromo-3-(4-morpholinyl)-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (Z)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylsulfanyl)-4-oxoazetidin-1-yl]-4-bromo-3-morpholin-4-ylbut-2-enoate Traditional Name: (Z)-2-[3-acetamido-2-(cyclopropylmethoxycarbonylthio)-4-keto-azetidin-1-yl]-4-bromo-3-morpholino-but-2-enoic acid (4-nitrobenzyl) ester Formula: C25H29BrN4O9S MolecularWeight: 641.48816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)C(=C(CBr)N2CCOCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)OCC4CC4

Isomeric SMILES

CC(=O)NC1C(N(C1=O)/C(=C(/CBr)\N2CCOCC2)/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)OCC4CC4

InChI

InChI=1S/C25H29BrN4O9S/c1-15(31)27-20-22(32)29(23(20)40-25(34)39-14-16-2-3-16)21(19(12-26)28-8-10-37-11-9-28)24(33)38-13-17-4-6-18(7-5-17)30(35)36/h4-7,16,20,23H,2-3,8-14H2,1H3,(H,27,31)/b21-19-