tert-butyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: tert-butyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: tert-butyl 2-[2-chlorosulfinyl-3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-chlorosulfinyl-3-(1,3-dioxo-2-isoindolyl)-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-chlorosulfinyl-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-(2-chlorosulfinyl-4-keto-3-phthalimido-azetidin-1-yl)-3-methyl-but-3-enoic acid tert-butyl ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6S/c1-10(2)13(19(27)29-20(3,4)5)23-17(26)14(18(23)30(21)28)22-15(24)11-8-6-7-9-12(11)16(22)25/h6-9,13-14,18H,1H2,2-5H3