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

Systemtic Name: ethyl 4-[2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyloxy]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25BrN2O5S MolecularWeight: 473.3812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C19H25BrN2O5S/c1-4-26-19(25)22-7-5-21(6-8-22)17(23)11-27-18(24)12-28-16-10-13(2)15(20)9-14(16)3/h9-10H,4-8,11-12H2,1-3H3