ethyl 1-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(4-thiochroman-8-yloxybutyl)piperidine-4-carboxylate CAS Name: 1-[4-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)butyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]piperidine-4-carboxylate Traditional Name: 1-(4-thiochroman-8-yloxybutyl)isonipecotic acid ethyl ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CCCCOC2=CC=CC3=C2SCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CCCCOC2=CC=CC3=C2SCCC3

InChI

InChI=1S/C21H31NO3S/c1-2-24-21(23)18-10-13-22(14-11-18)12-3-4-15-25-19-9-5-7-17-8-6-16-26-20(17)19/h5,7,9,18H,2-4,6,8,10-16H2,1H3