(diphenylmethyl) (E)-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoate

Systemtic Name: (diphenylmethyl) (E)-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoate Openeye Name: benzhydryl (E)-3-methylsulfonyloxy-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(p-tolylsulfonylsulfanyl)azetidin-1-yl]but-2-enoate CAS Name: (E)-2-[2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-methylsulfonyloxy-2-butenoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (E)-2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylsulfonyloxybut-2-enoate Traditional Name: (E)-2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(tosylthio)azetidin-1-yl]-3-methylsulfonyloxy-but-2-enoic acid benzhydryl ester Formula: C36H34N2O10S3 MolecularWeight: 750.85756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2C(=C(C)OS(=O)(=O)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2/C(=C(\C)/OS(=O)(=O)C)/C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C36H34N2O10S3/c1-24-19-21-29(22-20-24)51(44,45)49-35-31(37-30(39)23-46-28-17-11-6-12-18-28)34(40)38(35)32(25(2)48-50(3,42)43)36(41)47-33(26-13-7-4-8-14-26)27-15-9-5-10-16-27/h4-22,31,33,35H,23H2,1-3H3,(H,37,39)/b32-25+