ethyl 4-[(4-methoxyphenyl)methyl]-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(2-pyridin-4-ylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[2-(4-pyridylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 4-p-anisyl-1-[2-(4-pyridylthio)acetyl]isonipecotic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=CC=NC=C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=CC=NC=C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N2O4S/c1-3-29-22(27)23(16-18-4-6-19(28-2)7-5-18)10-14-25(15-11-23)21(26)17-30-20-8-12-24-13-9-20/h4-9,12-13H,3,10-11,14-17H2,1-2H3