ethyl 4-(3-phenylpropyl)-1-(thian-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-(thian-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-tetrahydrothiopyran-4-yl-piperidine-4-carboxylate CAS Name: 4-(3-phenylpropyl)-1-(4-thianyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-(thian-4-yl)piperidine-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-tetrahydrothiopyran-4-yl-isonipecotic acid ethyl ester Formula: C22H33NO2S MolecularWeight: 375.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2CCSCC2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2CCSCC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H33NO2S/c1-2-25-21(24)22(12-6-9-19-7-4-3-5-8-19)13-15-23(16-14-22)20-10-17-26-18-11-20/h3-5,7-8,20H,2,6,9-18H2,1H3