1-[3-methyl-1-oxidanylidene-1-[2,2,2-tris(chloranyl)ethoxy]but-3-en-2-yl]-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidine-2-sulfinic acid

Systemtic Name: 1-[3-methyl-1-oxidanylidene-1-[2,2,2-tris(chloranyl)ethoxy]but-3-en-2-yl]-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidine-2-sulfinic acid Openeye Name: 3-[[2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-1-[2-methyl-1-(2,2,2-trichloroethoxycarbonyl)allyl]-4-oxo-azetidine-2-sulfinic acid CAS Name: 1-[3-methyl-1-oxo-1-(2,2,2-trichloroethoxy)but-3-en-2-yl]-3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-4-oxo-2-azetidinesulfinic acid IUPAC Name: 1-[3-methyl-1-oxo-1-(2,2,2-trichloroethoxy)but-3-en-2-yl]-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-4-oxoazetidine-2-sulfinic acid Traditional Name: 3-[[2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-4-keto-1-[2-methyl-1-(2,2,2-trichloroethoxycarbonyl)allyl]azetidine-2-sulfinic acid Formula: C23H28Cl3N3O8S MolecularWeight: 612.90772

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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)C(C2=CC=CC=C2)NC(=O)OC(C)(C)C)S(=O)O

Isomeric SMILES

CC(=C)C(C(=O)OCC(Cl)(Cl)Cl)N1C(C(C1=O)NC(=O)C(C2=CC=CC=C2)NC(=O)OC(C)(C)C)S(=O)O

InChI

InChI=1S/C23H28Cl3N3O8S/c1-12(2)16(20(32)36-11-23(24,25)26)29-18(31)15(19(29)38(34)35)27-17(30)14(13-9-7-6-8-10-13)28-21(33)37-22(3,4)5/h6-10,14-16,19H,1,11H2,2-5H3,(H,27,30)(H,28,33)(H,34,35)