ethyl 1-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(6-fluorothiochroman-3-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-3-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(6-fluorothiochroman-3-yl)methyl]isonipecotic acid ethyl ester Formula: C18H24FNO2S MolecularWeight: 337.452063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2CC3=C(C=CC(=C3)F)SC2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2CC3=C(C=CC(=C3)F)SC2

InChI

InChI=1S/C18H24FNO2S/c1-2-22-18(21)14-5-7-20(8-6-14)11-13-9-15-10-16(19)3-4-17(15)23-12-13/h3-4,10,13-14H,2,5-9,11-12H2,1H3