(E)-3-methoxy-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-(phenylsulfonylsulfanyl)azetidin-1-yl]but-2-enoic acid

Systemtic Name: (E)-3-methoxy-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-(phenylsulfonylsulfanyl)azetidin-1-yl]but-2-enoic acid Openeye Name: (E)-2-[2-(benzenesulfonylsulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methoxy-but-2-enoic acid CAS Name: (E)-2-[2-(benzenesulfonylthio)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-methoxy-2-butenoic acid IUPAC Name: (E)-2-[2-(benzenesulfonylsulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methoxybut-2-enoic acid Traditional Name: (E)-2-[2-(besylthio)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methoxy-but-2-enoic acid Formula: C22H22N2O8S2 MolecularWeight: 506.54868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SS(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

C/C(=C(/C(=O)O)\N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SS(=O)(=O)C3=CC=CC=C3)/OC

InChI

InChI=1S/C22H22N2O8S2/c1-14(31-2)19(22(27)28)24-20(26)18(23-17(25)13-32-15-9-5-3-6-10-15)21(24)33-34(29,30)16-11-7-4-8-12-16/h3-12,18,21H,13H2,1-2H3,(H,23,25)(H,27,28)/b19-14+