2,2,2-tris(chloranyl)ethyl 2-[2-(1,3-benzoxazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 2-[2-(1,3-benzoxazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: 2,2,2-trichloroethyl 2-[2-(1,3-benzoxazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-(1,3-benzoxazol-2-yldisulfanyl)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 2-[2-(1,3-benzoxazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-(1,3-benzoxazol-2-yldisulfanyl)-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid 2,2,2-trichloroethyl ester Formula: C25H22Cl3N3O5S2 MolecularWeight: 614.94828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC(Cl)(Cl)Cl)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(=C)C(C(=O)OCC(Cl)(Cl)Cl)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H22Cl3N3O5S2/c1-14(2)20(23(34)35-13-25(26,27)28)31-21(33)19(30-18(32)12-15-8-4-3-5-9-15)22(31)37-38-24-29-16-10-6-7-11-17(16)36-24/h3-11,19-20,22H,1,12-13H2,2H3,(H,30,32)