(4-nitrophenyl)methyl 2-[2-methyl-4-oxidanylidene-2-(2-phenyl-2-sulfanylidene-ethyl)azetidin-1-yl]-2-oxidanyl-ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-methyl-4-oxidanylidene-2-(2-phenyl-2-sulfanylidene-ethyl)azetidin-1-yl]-2-oxidanyl-ethanoate Openeye Name: (4-nitrophenyl)methyl 2-hydroxy-2-[2-methyl-4-oxo-2-(2-phenyl-2-thioxo-ethyl)azetidin-1-yl]acetate CAS Name: 2-hydroxy-2-[2-methyl-4-oxo-2-(2-phenyl-2-sulfanylideneethyl)-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-hydroxy-2-[2-methyl-4-oxo-2-(2-phenyl-2-sulfanylideneethyl)azetidin-1-yl]acetate Traditional Name: 2-hydroxy-2-[4-keto-2-methyl-2-(2-phenyl-2-thioxo-ethyl)azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)CC(=S)C3=CC=CC=C3

Isomeric SMILES

CC1(CC(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)CC(=S)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6S/c1-21(11-17(30)15-5-3-2-4-6-15)12-18(24)22(21)19(25)20(26)29-13-14-7-9-16(10-8-14)23(27)28/h2-10,19,25H,11-13H2,1H3