ethyl 4-phenethyl-1-(thian-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-phenethyl-1-(thian-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 4-phenethyl-1-tetrahydrothiopyran-4-yl-piperidine-4-carboxylate CAS Name: 4-phenethyl-1-(4-thianyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenethyl-1-(thian-4-yl)piperidine-4-carboxylate Traditional Name: 4-phenethyl-1-tetrahydrothiopyran-4-yl-isonipecotic acid ethyl ester Formula: C21H31NO2S MolecularWeight: 361.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2CCSCC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2CCSCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H31NO2S/c1-2-24-20(23)21(11-8-18-6-4-3-5-7-18)12-14-22(15-13-21)19-9-16-25-17-10-19/h3-7,19H,2,8-17H2,1H3