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

Systemtic Name: (E)-2-[3-acetamido-2-oxidanylidene-3-(phenylsulfonylsulfanyl)azetidin-1-yl]-3-methoxy-but-2-enoic acid Openeye Name: (E)-2-[3-acetamido-3-(benzenesulfonylsulfanyl)-2-oxo-azetidin-1-yl]-3-methoxy-but-2-enoic acid CAS Name: (E)-2-[3-acetamido-3-(benzenesulfonylthio)-2-oxo-1-azetidinyl]-3-methoxy-2-butenoic acid IUPAC Name: (E)-2-[3-acetamido-3-(benzenesulfonylsulfanyl)-2-oxoazetidin-1-yl]-3-methoxybut-2-enoic acid Traditional Name: (E)-2-[3-acetamido-3-(besylthio)-2-keto-azetidin-1-yl]-3-methoxy-but-2-enoic acid Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1CC(C1=O)(NC(=O)C)SS(=O)(=O)C2=CC=CC=C2)OC

Isomeric SMILES

C/C(=C(/C(=O)O)\N1CC(C1=O)(NC(=O)C)SS(=O)(=O)C2=CC=CC=C2)/OC

InChI

InChI=1S/C16H18N2O7S2/c1-10(25-3)13(14(20)21)18-9-16(15(18)22,17-11(2)19)26-27(23,24)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,17,19)(H,20,21)/b13-10+