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

Systemtic Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-pyrimidin-2-ylsulfanylacetyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxylate CAS Name: 4-[[(2R)-2-oxanyl]methyl]-1-[1-oxo-2-(2-pyrimidinylthio)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(2-pyrimidylthio)acetyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]isonipecotic acid ethyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=NC=CC=N2)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=NC=CC=N2)C[C@H]3CCCCO3

InChI

InChI=1S/C20H29N3O4S/c1-2-26-18(25)20(14-16-6-3-4-13-27-16)7-11-23(12-8-20)17(24)15-28-19-21-9-5-10-22-19/h5,9-10,16H,2-4,6-8,11-15H2,1H3/t16-/m1/s1