1,1,2-tris(chloranyl)ethyl 5-acetamido-2,6,6-tris(chloranyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 1,1,2-tris(chloranyl)ethyl 5-acetamido-2,6,6-tris(chloranyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 1,1,2-trichloroethyl 5-acetamido-2,6,6-trichloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 5-acetamido-2,6,6-trichloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1,1,2-trichloroethyl ester IUPAC Name: 1,1,2-trichloroethyl 5-acetamido-2,6,6-trichloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 5-acetamido-2,6,6-trichloro-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1,1,2-trichloroethyl ester Formula: C12H12Cl6N2O4S MolecularWeight: 493.01768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12C(C(=O)N1C(C(S2)(C)C)(C(=O)OC(CCl)(Cl)Cl)Cl)(Cl)Cl

Isomeric SMILES

CC(=O)NC12C(C(=O)N1C(C(S2)(C)C)(C(=O)OC(CCl)(Cl)Cl)Cl)(Cl)Cl

InChI

InChI=1S/C12H12Cl6N2O4S/c1-5(21)19-12-10(16,17)6(22)20(12)11(18,8(2,3)25-12)7(23)24-9(14,15)4-13/h4H2,1-3H3,(H,19,21)