2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoic acid

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethanoylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoic acid Openeye Name: 2-[2-acetylsulfanyl-3-(1,3-dioxoisoindolin-2-yl)-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoic acid CAS Name: 2-[2-(acetylthio)-3-(1,3-dioxo-2-isoindolyl)-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid IUPAC Name: 2-[2-acetylsulfanyl-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-3-methylbut-3-enoic acid Traditional Name: 2-[2-(acetylthio)-4-keto-3-phthalimido-azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)O)N1C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)SC(=O)C

Isomeric SMILES

CC(=C)C(C(=O)O)N1C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)SC(=O)C

InChI

InChI=1S/C18H16N2O6S/c1-8(2)12(18(25)26)20-16(24)13(17(20)27-9(3)21)19-14(22)10-6-4-5-7-11(10)15(19)23/h4-7,12-13,17H,1H2,2-3H3,(H,25,26)