ethyl 1-[2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C20H26BrNO5S MolecularWeight: 472.39314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C20H26BrNO5S/c1-4-26-20(25)15-5-7-22(8-6-15)18(23)11-27-19(24)12-28-17-10-13(2)16(21)9-14(17)3/h9-10,15H,4-8,11-12H2,1-3H3