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

Systemtic Name: tert-butyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-2-chloranyl-ethanoate Openeye Name: tert-butyl 2-[2-acetylsulfanyl-3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-1-yl]-2-chloro-acetate CAS Name: 2-[2-(acetylthio)-3-(1,3-dioxo-2-isoindolyl)-4-oxo-1-azetidinyl]-2-chloroacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-acetylsulfanyl-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-2-chloroacetate Traditional Name: 2-[2-(acetylthio)-4-keto-3-phthalimido-azetidin-1-yl]-2-chloro-acetic acid tert-butyl ester Formula: C19H19ClN2O6S MolecularWeight: 438.88196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O6S/c1-9(23)29-17-12(16(26)22(17)13(20)18(27)28-19(2,3)4)21-14(24)10-7-5-6-8-11(10)15(21)25/h5-8,12-13,17H,1-4H3