S-pyridin-2-yl 2-[1-[1-[nitro(phenyl)methoxy]carbonyloxyethyl]-4-oxidanylidene-azetidin-2-yl]propanethioate

Systemtic Name: S-pyridin-2-yl 2-[1-[1-[nitro(phenyl)methoxy]carbonyloxyethyl]-4-oxidanylidene-azetidin-2-yl]propanethioate Openeye Name: S-(2-pyridyl) 2-[1-[1-[nitro(phenyl)methoxy]carbonyloxyethyl]-4-oxo-azetidin-2-yl]propanethioate CAS Name: 2-[1-[1-[[nitro(phenyl)methoxy]-oxomethoxy]ethyl]-4-oxo-2-azetidinyl]propanethioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 2-[1-[1-[nitro(phenyl)methoxy]carbonyloxyethyl]-4-oxoazetidin-2-yl]propanethioate Traditional Name: 2-[4-keto-1-[1-[nitro(phenyl)methoxy]carbonyloxyethyl]azetidin-2-yl]propanethioic acid S-(2-pyridyl) ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(=O)N1C(C)OC(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])C(=O)SC3=CC=CC=N3

Isomeric SMILES

CC(C1CC(=O)N1C(C)OC(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])C(=O)SC3=CC=CC=N3

InChI

InChI=1S/C21H21N3O7S/c1-13(20(26)32-17-10-6-7-11-22-17)16-12-18(25)23(16)14(2)30-21(27)31-19(24(28)29)15-8-4-3-5-9-15/h3-11,13-14,16,19H,12H2,1-2H3