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

Systemtic Name: methyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-4-oxidanylidene-azetidin-1-yl]-3-bromanylsulfanyl-3-methyl-butanoate Openeye Name: methyl 3-bromosulfanyl-2-[2-chloro-3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-1-yl]-3-methyl-butanoate CAS Name: 3-(bromothio)-2-[2-chloro-3-(1,3-dioxo-2-isoindolyl)-4-oxo-1-azetidinyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 3-bromosulfanyl-2-[2-chloro-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-3-methylbutanoate Traditional Name: 3-(bromothio)-2-(2-chloro-4-keto-3-phthalimido-azetidin-1-yl)-3-methyl-butyric acid methyl ester Formula: C17H16BrClN2O5S MolecularWeight: 475.74134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)N1C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)Cl)SBr

Isomeric SMILES

CC(C)(C(C(=O)OC)N1C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)Cl)SBr

InChI

InChI=1S/C17H16BrClN2O5S/c1-17(2,27-18)11(16(25)26-3)21-12(19)10(15(21)24)20-13(22)8-6-4-5-7-9(8)14(20)23/h4-7,10-12H,1-3H3