(4-nitrophenyl)methyl 3-(4-methylphenoxy)-2-(2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)-3-sulfanylidene-propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(4-methylphenoxy)-2-(2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)-3-sulfanylidene-propanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-allylsulfanyl-4-oxo-azetidin-1-yl)-3-(4-methylphenoxy)-3-thioxo-propanoate CAS Name: 3-(4-methylphenoxy)-2-[2-oxo-4-(prop-2-enylthio)-1-azetidinyl]-3-sulfanylidenepropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(4-methylphenoxy)-2-(2-oxo-4-prop-2-enylsulfanylazetidin-1-yl)-3-sulfanylidenepropanoate Traditional Name: 2-[2-(allylthio)-4-keto-azetidin-1-yl]-3-(4-methylphenoxy)-3-thioxo-propionic acid (4-nitrobenzyl) ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=S)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C(CC3=O)SCC=C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=S)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C(CC3=O)SCC=C

InChI

InChI=1S/C23H22N2O6S2/c1-3-12-33-20-13-19(26)24(20)21(23(32)31-18-10-4-15(2)5-11-18)22(27)30-14-16-6-8-17(9-7-16)25(28)29/h3-11,20-21H,1,12-14H2,2H3