tert-butyl 3-[acetyloxy(methylsulfanyl)methyl]-8-oxidanylidene-7-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 3-[acetyloxy(methylsulfanyl)methyl]-8-oxidanylidene-7-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-[acetoxy(methylsulfanyl)methyl]-8-oxo-7-(2,2,2-trichloroethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[acetyloxy-(methylthio)methyl]-8-oxo-7-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[acetyloxy(methylsulfanyl)methyl]-8-oxo-7-(2,2,2-trichloroethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[acetoxy-(methylthio)methyl]-8-keto-7-(2,2,2-trichloroethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C18H23Cl3N2O7S2 MolecularWeight: 549.87342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=C(N2C(C(C2=O)NC(=O)OCC(Cl)(Cl)Cl)SC1)C(=O)OC(C)(C)C)SC

Isomeric SMILES

CC(=O)OC(C1=C(N2C(C(C2=O)NC(=O)OCC(Cl)(Cl)Cl)SC1)C(=O)OC(C)(C)C)SC

InChI

InChI=1S/C18H23Cl3N2O7S2/c1-8(24)29-15(31-5)9-6-32-13-10(22-16(27)28-7-18(19,20)21)12(25)23(13)11(9)14(26)30-17(2,3)4/h10,13,15H,6-7H2,1-5H3,(H,22,27)