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

Systemtic Name: (E)-2-[3-acetamido-2-(4-nitrophenyl)sulfonylsulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methoxy-but-2-enoic acid Openeye Name: (E)-2-[3-acetamido-2-(4-nitrophenyl)sulfonylsulfanyl-4-oxo-azetidin-1-yl]-3-methoxy-but-2-enoic acid CAS Name: (E)-2-[3-acetamido-2-[(4-nitrophenyl)sulfonylthio]-4-oxo-1-azetidinyl]-3-methoxy-2-butenoic acid IUPAC Name: (E)-2-[3-acetamido-2-(4-nitrophenyl)sulfonylsulfanyl-4-oxoazetidin-1-yl]-3-methoxybut-2-enoic acid Traditional Name: (E)-2-[3-acetamido-2-keto-4-(nosylthio)azetidin-1-yl]-3-methoxy-but-2-enoic acid Formula: C16H17N3O9S2 MolecularWeight: 459.45088

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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=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

C/C(=C(/C(=O)O)\N1C(C(C1=O)NC(=O)C)SS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/OC

InChI

InChI=1S/C16H17N3O9S2/c1-8(28-3)13(16(22)23)18-14(21)12(17-9(2)20)15(18)29-30(26,27)11-6-4-10(5-7-11)19(24)25/h4-7,12,15H,1-3H3,(H,17,20)(H,22,23)/b13-8+