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

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 2,2,2-trichloroethyl 6-(azepan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-azepanylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(azepan-1-ylmethyleneamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C17H24Cl3N3O3S MolecularWeight: 456.81476

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCC(Cl)(Cl)Cl)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCC(Cl)(Cl)Cl)C

InChI

InChI=1S/C17H24Cl3N3O3S/c1-16(2)12(15(25)26-9-17(18,19)20)23-13(24)11(14(23)27-16)21-10-22-7-5-3-4-6-8-22/h10-12,14H,3-9H2,1-2H3