2,2,2-tris(chloranyl)ethyl (Z)-2-(3-acetamido-2-oxidanylidene-4-phenylmethoxycarbonylsulfanyl-azetidin-1-yl)-4-bromanyl-3-piperidin-1-yl-but-2-enoate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (Z)-2-(3-acetamido-2-oxidanylidene-4-phenylmethoxycarbonylsulfanyl-azetidin-1-yl)-4-bromanyl-3-piperidin-1-yl-but-2-enoate Openeye Name: 2,2,2-trichloroethyl (Z)-2-(3-acetamido-2-benzyloxycarbonylsulfanyl-4-oxo-azetidin-1-yl)-4-bromo-3-(1-piperidyl)but-2-enoate CAS Name: (Z)-2-[3-acetamido-2-oxo-4-(phenylmethoxycarbonylthio)-1-azetidinyl]-4-bromo-3-(1-piperidinyl)-2-butenoic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (Z)-2-(3-acetamido-2-oxo-4-phenylmethoxycarbonylsulfanylazetidin-1-yl)-4-bromo-3-piperidin-1-ylbut-2-enoate Traditional Name: (Z)-2-[3-acetamido-2-(carbobenzoxythio)-4-keto-azetidin-1-yl]-4-bromo-3-piperidino-but-2-enoic acid 2,2,2-trichloroethyl ester Formula: C24H27BrCl3N3O6S MolecularWeight: 671.81568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)C(=C(CBr)N2CCCCC2)C(=O)OCC(Cl)(Cl)Cl)SC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1C(N(C1=O)/C(=C(/CBr)\N2CCCCC2)/C(=O)OCC(Cl)(Cl)Cl)SC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H27BrCl3N3O6S/c1-15(32)29-18-20(33)31(21(18)38-23(35)36-13-16-8-4-2-5-9-16)19(22(34)37-14-24(26,27)28)17(12-25)30-10-6-3-7-11-30/h2,4-5,8-9,18,21H,3,6-7,10-14H2,1H3,(H,29,32)/b19-17-