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

Systemtic Name: (E)-3-methoxy-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-2-enoic acid Openeye Name: (E)-3-methoxy-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(p-tolylsulfonylsulfanyl)azetidin-1-yl]but-2-enoic acid CAS Name: (E)-3-methoxy-2-[2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-2-butenoic acid IUPAC Name: (E)-3-methoxy-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-2-enoic acid Traditional Name: (E)-2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(tosylthio)azetidin-1-yl]-3-methoxy-but-2-enoic acid Formula: C23H24N2O8S2 MolecularWeight: 520.57526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2C(=C(C)OC)C(=O)O)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2/C(=C(\C)/OC)/C(=O)O)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O8S2/c1-14-9-11-17(12-10-14)35(30,31)34-22-19(21(27)25(22)20(23(28)29)15(2)32-3)24-18(26)13-33-16-7-5-4-6-8-16/h4-12,19,22H,13H2,1-3H3,(H,24,26)(H,28,29)/b20-15+