(E)-2-[3-acetamido-2-(2-methoxyphenyl)sulfonylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methoxy-but-2-enoic acid

Systemtic Name: (E)-2-[3-acetamido-2-(2-methoxyphenyl)sulfonylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methoxy-but-2-enoic acid Openeye Name: (E)-2-[3-acetamido-2-(2-methoxyphenyl)sulfonylsulfanyl-4-oxo-azetidin-1-yl]-3-methoxy-but-2-enoic acid CAS Name: (E)-2-[3-acetamido-2-[(2-methoxyphenyl)sulfonylthio]-4-oxo-1-azetidinyl]-3-methoxy-2-butenoic acid IUPAC Name: (E)-2-[3-acetamido-2-(2-methoxyphenyl)sulfonylsulfanyl-4-oxoazetidin-1-yl]-3-methoxybut-2-enoic acid Traditional Name: (E)-2-[3-acetamido-2-keto-4-[(2-methoxyphenyl)sulfonylthio]azetidin-1-yl]-3-methoxy-but-2-enoic acid Formula: C17H20N2O8S2 MolecularWeight: 444.4793

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1C(C(C1=O)NC(=O)C)SS(=O)(=O)C2=CC=CC=C2OC)OC

Isomeric SMILES

C/C(=C(/C(=O)O)\N1C(C(C1=O)NC(=O)C)SS(=O)(=O)C2=CC=CC=C2OC)/OC

InChI

InChI=1S/C17H20N2O8S2/c1-9(26-3)14(17(22)23)19-15(21)13(18-10(2)20)16(19)28-29(24,25)12-8-6-5-7-11(12)27-4/h5-8,13,16H,1-4H3,(H,18,20)(H,22,23)/b14-9+