methyl 1-[2-[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-(2-cyanophenyl)sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(2-cyanophenyl)sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(2-cyanophenyl)thio]benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C23H22N2O5S/c1-29-22(27)16-10-12-25(13-11-16)21(26)15-30-23(28)18-7-3-5-9-20(18)31-19-8-4-2-6-17(19)14-24/h2-9,16H,10-13,15H2,1H3