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

Systemtic Name: (4-nitrophenyl)methyl 2-[3-acetamido-2-(2-methylpropoxysulfinyl)-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(3-acetamido-2-isobutoxysulfinyl-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-[3-acetamido-2-(2-methylpropoxysulfinyl)-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-acetamido-2-(2-methylpropoxysulfinyl)-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-(3-acetamido-2-isobutoxysulfinyl-4-keto-azetidin-1-yl)-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C21H27N3O8S MolecularWeight: 481.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COS(=O)C1C(C(=O)N1C(C(=C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(C)COS(=O)C1C(C(=O)N1C(C(=C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C21H27N3O8S/c1-12(2)10-32-33(30)20-17(22-14(5)25)19(26)23(20)18(13(3)4)21(27)31-11-15-6-8-16(9-7-15)24(28)29/h6-9,12,17-18,20H,3,10-11H2,1-2,4-5H3,(H,22,25)