methyl 3-methyl-2-[2-methylsulfanyl-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxidanylidene-azetidin-1-yl]but-2-enoate

Systemtic Name: methyl 3-methyl-2-[2-methylsulfanyl-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxidanylidene-azetidin-1-yl]but-2-enoate Openeye Name: methyl 3-methyl-2-[2-methylsulfanyl-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxo-azetidin-1-yl]but-2-enoate CAS Name: 3-methyl-2-[2-(methylthio)-3-[1-[(4-nitrophenyl)methoxy-oxomethoxy]ethyl]-4-oxo-1-azetidinyl]-2-butenoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[2-methylsulfanyl-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4-oxoazetidin-1-yl]but-2-enoate Traditional Name: 2-[2-keto-4-(methylthio)-3-[1-(4-nitrobenzyl)oxycarbonyloxyethyl]azetidin-1-yl]-3-methyl-but-2-enoic acid methyl ester Formula: C20H24N2O8S MolecularWeight: 452.47816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(N(C1=O)C(=C(C)C)C(=O)OC)SC)OC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C1C(N(C1=O)C(=C(C)C)C(=O)OC)SC)OC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O8S/c1-11(2)16(19(24)28-4)21-17(23)15(18(21)31-5)12(3)30-20(25)29-10-13-6-8-14(9-7-13)22(26)27/h6-9,12,15,18H,10H2,1-5H3