ethyl 4-(3-phenylpropyl)-1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(2-pyrimidinylthio)ethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-[2-(2-pyrimidylthio)acetyl]isonipecotic acid ethyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=NC=CC=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CSC2=NC=CC=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-2-29-21(28)23(11-6-10-19-8-4-3-5-9-19)12-16-26(17-13-23)20(27)18-30-22-24-14-7-15-25-22/h3-5,7-9,14-15H,2,6,10-13,16-18H2,1H3