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

Systemtic Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-phenylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-phenylsulfanylacetyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxylate CAS Name: 4-[[(2R)-2-oxanyl]methyl]-1-[1-oxo-2-(phenylthio)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-phenylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(phenylthio)acetyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]isonipecotic acid ethyl ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4S/c1-2-26-21(25)22(16-18-8-6-7-15-27-18)11-13-23(14-12-22)20(24)17-28-19-9-4-3-5-10-19/h3-5,9-10,18H,2,6-8,11-17H2,1H3/t18-/m1/s1