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

Systemtic Name: ethyl 4-[2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyloxy]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]oxyacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]oxyacetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H27BrN2O5S MolecularWeight: 487.40778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C20H27BrN2O5S/c1-4-27-20(26)23-7-5-15(6-8-23)22-18(24)11-28-19(25)12-29-17-10-13(2)16(21)9-14(17)3/h9-10,15H,4-8,11-12H2,1-3H3,(H,22,24)