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

Systemtic Name: (4-nitrophenyl)methyl (Z)-2-[3-acetamido-2-(methoxymethylsulfanyl)-4-oxidanylidene-azetidin-1-yl]-4-bromanyl-3-morpholin-4-yl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-2-[3-acetamido-2-(methoxymethylsulfanyl)-4-oxo-azetidin-1-yl]-4-bromo-3-morpholino-but-2-enoate CAS Name: (Z)-2-[3-acetamido-2-(methoxymethylthio)-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-(methoxymethylsulfanyl)-4-oxoazetidin-1-yl]-4-bromo-3-morpholin-4-ylbut-2-enoate Traditional Name: (Z)-2-[3-acetamido-2-keto-4-(methoxymethylthio)azetidin-1-yl]-4-bromo-3-morpholino-but-2-enoic acid (4-nitrobenzyl) ester Formula: C22H27BrN4O8S MolecularWeight: 587.44078

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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-])SCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O8S/c1-14(28)24-18-20(29)26(21(18)36-13-33-2)19(17(11-23)25-7-9-34-10-8-25)22(30)35-12-15-3-5-16(6-4-15)27(31)32/h3-6,18,21H,7-13H2,1-2H3,(H,24,28)/b19-17-