(4-nitrophenyl)methyl 2-(2-oxidanylidene-4-prop-2-enylsulfinyl-azetidin-1-yl)-3-phenoxy-3-sulfanylidene-propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-oxidanylidene-4-prop-2-enylsulfinyl-azetidin-1-yl)-3-phenoxy-3-sulfanylidene-propanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-allylsulfinyl-4-oxo-azetidin-1-yl)-3-phenoxy-3-thioxo-propanoate CAS Name: 2-(2-oxo-4-prop-2-enylsulfinyl-1-azetidinyl)-3-phenoxy-3-sulfanylidenepropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-oxo-4-prop-2-enylsulfinylazetidin-1-yl)-3-phenoxy-3-sulfanylidenepropanoate Traditional Name: 2-(2-allylsulfinyl-4-keto-azetidin-1-yl)-3-phenoxy-3-thioxo-propionic acid (4-nitrobenzyl) ester Formula: C22H20N2O7S2 MolecularWeight: 488.5334

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Descriptors Computed from Structure

Canonical SMILES:

C=CCS(=O)C1CC(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=S)OC3=CC=CC=C3

Isomeric SMILES

C=CCS(=O)C1CC(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=S)OC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O7S2/c1-2-12-33(29)19-13-18(25)23(19)20(22(32)31-17-6-4-3-5-7-17)21(26)30-14-15-8-10-16(11-9-15)24(27)28/h2-11,19-20H,1,12-14H2