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

Systemtic Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(methoxymethylsulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-morpholin-4-yl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(methoxymethylsulfanyl)-4-oxo-azetidin-1-yl]-3-morpholino-but-2-enoate CAS Name: (E)-2-[3-acetamido-2-(methoxymethylthio)-4-oxo-1-azetidinyl]-3-(4-morpholinyl)-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-2-[3-acetamido-2-(methoxymethylsulfanyl)-4-oxoazetidin-1-yl]-3-morpholin-4-ylbut-2-enoate Traditional Name: (E)-2-[3-acetamido-2-keto-4-(methoxymethylthio)azetidin-1-yl]-3-morpholino-but-2-enoic acid (4-nitrobenzyl) ester Formula: C22H28N4O8S MolecularWeight: 508.54472

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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)SCOC)N3CCOCC3

Isomeric SMILES

C/C(=C(/C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])\N2C(C(C2=O)NC(=O)C)SCOC)/N3CCOCC3

InChI

InChI=1S/C22H28N4O8S/c1-14(24-8-10-33-11-9-24)19(22(29)34-12-16-4-6-17(7-5-16)26(30)31)25-20(28)18(23-15(2)27)21(25)35-13-32-3/h4-7,18,21H,8-13H2,1-3H3,(H,23,27)/b19-14+