ethyl 1-[2-(4-bromophenyl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-bromophenyl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-bromophenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-bromophenyl)thio]acetyl]isonipecotic acid ethyl ester Formula: C16H20BrNO3S MolecularWeight: 386.3039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3S/c1-2-21-16(20)12-7-9-18(10-8-12)15(19)11-22-14-5-3-13(17)4-6-14/h3-6,12H,2,7-11H2,1H3