ethyl (3S)-1-[2-[2-(1-bromanylnaphthalen-2-yl)sulfanylethanoyloxy]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[2-(1-bromanylnaphthalen-2-yl)sulfanylethanoyloxy]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2-[(1-bromo-2-naphthyl)sulfanyl]acetyl]oxyacetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[2-[(1-bromo-2-naphthalenyl)thio]-1-oxoethoxy]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[2-(1-bromonaphthalen-2-yl)sulfanylacetyl]oxyacetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[2-[(1-bromo-2-naphthyl)thio]acetyl]oxyacetyl]nipecotic acid ethyl ester Formula: C22H24BrNO5S MolecularWeight: 494.39866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C22H24BrNO5S/c1-2-28-22(27)16-7-5-11-24(12-16)19(25)13-29-20(26)14-30-18-10-9-15-6-3-4-8-17(15)21(18)23/h3-4,6,8-10,16H,2,5,7,11-14H2,1H3/t16-/m0/s1