ethyl 1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: 1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: 1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CN=C(N=C2)SC)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CN=C(N=C2)SC)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-3-27-20(26)22(11-13-28-19-8-5-4-6-9-19)10-7-12-25(17-22)16-18-14-23-21(29-2)24-15-18/h4-6,8-9,14-15H,3,7,10-13,16-17H2,1-2H3