ethyl 1-[2-(4-bromophenyl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-bromophenyl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(4-bromophenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-bromophenyl)thio]acetyl]nipecotic acid ethyl ester Formula: C16H20BrNO3S MolecularWeight: 386.3039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrNO3S/c1-2-21-16(20)12-4-3-9-18(10-12)15(19)11-22-14-7-5-13(17)6-8-14/h5-8,12H,2-4,9-11H2,1H3