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

Systemtic Name: methyl 1-[2-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-[(4-cyanophenyl)methylsulfanyl]benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-[(4-cyanophenyl)methylthio]phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-[(4-cyanophenyl)methylsulfanyl]benzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(4-cyanobenzyl)thio]benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H24N2O5S/c1-30-23(28)19-10-12-26(13-11-19)22(27)15-31-24(29)20-4-2-3-5-21(20)32-16-18-8-6-17(14-25)7-9-18/h2-9,19H,10-13,15-16H2,1H3