tert-butyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-2-oxidanyl-ethanoate

Systemtic Name: tert-butyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-2-oxidanyl-ethanoate Openeye Name: tert-butyl 2-[2-acetylsulfanyl-3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-1-yl]-2-hydroxy-acetate CAS Name: 2-[2-(acetylthio)-3-(1,3-dioxo-2-isoindolyl)-4-oxo-1-azetidinyl]-2-hydroxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-acetylsulfanyl-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-hydroxyacetate Traditional Name: 2-[2-(acetylthio)-4-keto-3-phthalimido-azetidin-1-yl]-2-hydroxy-acetic acid tert-butyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C(C(=O)N1C(C(=O)OC(C)(C)C)O)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)SC1C(C(=O)N1C(C(=O)OC(C)(C)C)O)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H20N2O7S/c1-9(22)29-17-12(15(25)21(17)16(26)18(27)28-19(2,3)4)20-13(23)10-7-5-6-8-11(10)14(20)24/h5-8,12,16-17,26H,1-4H3