methyl 1-[2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(8-chloro-1-naphthyl)thio]acetyl]oxyacetyl]isonipecotic acid methyl ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C21H22ClNO5S/c1-27-21(26)15-8-10-23(11-9-15)18(24)12-28-19(25)13-29-17-7-3-5-14-4-2-6-16(22)20(14)17/h2-7,15H,8-13H2,1H3