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

Systemtic Name: 2-[3-acetamido-2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoic acid Openeye Name: 2-[3-acetamido-2-(1,3-dioxoisoindolin-2-yl)sulfanyl-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoic acid CAS Name: 2-[3-acetamido-2-[(1,3-dioxo-2-isoindolyl)thio]-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid IUPAC Name: 2-[3-acetamido-2-(1,3-dioxoisoindol-2-yl)sulfanyl-4-oxoazetidin-1-yl]-3-methylbut-3-enoic acid Traditional Name: 2-[3-acetamido-2-keto-4-(phthalimidothio)azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)C)SN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)C)SN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17N3O6S/c1-8(2)13(18(26)27)20-16(25)12(19-9(3)22)17(20)28-21-14(23)10-6-4-5-7-11(10)15(21)24/h4-7,12-13,17H,1H2,2-3H3,(H,19,22)(H,26,27)