methyl 2-[2-acetyloxy-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-azetidin-1-yl]-3-bromanylsulfanyl-3-methyl-butanoate

Systemtic Name: methyl 2-[2-acetyloxy-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-azetidin-1-yl]-3-bromanylsulfanyl-3-methyl-butanoate Openeye Name: methyl 2-[2-acetoxy-3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-1-yl]-3-bromosulfanyl-3-methyl-butanoate CAS Name: 2-[2-acetyloxy-3-(1,3-dioxo-2-isoindolyl)-4-oxo-1-azetidinyl]-3-(bromothio)-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[2-acetyloxy-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-3-bromosulfanyl-3-methylbutanoate Traditional Name: 2-(2-acetoxy-4-keto-3-phthalimido-azetidin-1-yl)-3-(bromothio)-3-methyl-butyric acid methyl ester Formula: C19H19BrN2O7S MolecularWeight: 499.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(=O)N1C(C(=O)OC)C(C)(C)SBr)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)OC1C(C(=O)N1C(C(=O)OC)C(C)(C)SBr)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H19BrN2O7S/c1-9(23)29-17-12(21-14(24)10-7-5-6-8-11(10)15(21)25)16(26)22(17)13(18(27)28-4)19(2,3)30-20/h5-8,12-13,17H,1-4H3