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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-4-propan-2-ylsulfanyl-azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)-2-isopropylsulfanyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoic acid CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)-2-oxo-4-(propan-2-ylthio)-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-propan-2-ylsulfanylazetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[2-(isopropylthio)-4-keto-3-phthalimido-azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-9(2)13(19(25)26)21-17(24)14(18(21)27-10(3)4)20-15(22)11-7-5-6-8-12(11)16(20)23/h5-8,10,14,18H,1-4H3,(H,25,26)