ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-pyridylsulfanyl)acetyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxylate CAS Name: 4-[[(2R)-2-oxanyl]methyl]-1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(4-pyridylthio)acetyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]isonipecotic acid ethyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=CC=NC=C2)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=CC=NC=C2)C[C@H]3CCCCO3

InChI

InChI=1S/C21H30N2O4S/c1-2-26-20(25)21(15-17-5-3-4-14-27-17)8-12-23(13-9-21)19(24)16-28-18-6-10-22-11-7-18/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3/t17-/m1/s1