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

Systemtic Name: (4-nitrophenyl)methyl 3-(4-methoxyphenoxy)-2-(2-oxidanylidene-4-prop-2-enylsulfinyl-azetidin-1-yl)-3-sulfanylidene-propanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-allylsulfinyl-4-oxo-azetidin-1-yl)-3-(4-methoxyphenoxy)-3-thioxo-propanoate CAS Name: 3-(4-methoxyphenoxy)-2-(2-oxo-4-prop-2-enylsulfinyl-1-azetidinyl)-3-sulfanylidenepropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(4-methoxyphenoxy)-2-(2-oxo-4-prop-2-enylsulfinylazetidin-1-yl)-3-sulfanylidenepropanoate Traditional Name: 2-(2-allylsulfinyl-4-keto-azetidin-1-yl)-3-(4-methoxyphenoxy)-3-thioxo-propionic acid (4-nitrobenzyl) ester Formula: C23H22N2O8S2 MolecularWeight: 518.55938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=S)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C(CC3=O)S(=O)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)OC(=S)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C(CC3=O)S(=O)CC=C

InChI

InChI=1S/C23H22N2O8S2/c1-3-12-35(30)20-13-19(26)24(20)21(23(34)33-18-10-8-17(31-2)9-11-18)22(27)32-14-15-4-6-16(7-5-15)25(28)29/h3-11,20-21H,1,12-14H2,2H3