[1-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methyl 4-fluoranylbenzoate

Systemtic Name: [1-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methyl 4-fluoranylbenzoate Openeye Name: [1-[(6-fluorothiochroman-3-yl)methyl]-4-piperidyl]methyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [1-[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-3-yl)methyl]-4-piperidinyl]methyl ester IUPAC Name: [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [1-[(6-fluorothiochroman-3-yl)methyl]-4-piperidyl]methyl ester Formula: C23H25F2NO2S MolecularWeight: 417.511906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC(=O)C2=CC=C(C=C2)F)CC3CC4=C(C=CC(=C4)F)SC3

Isomeric SMILES

C1CN(CCC1COC(=O)C2=CC=C(C=C2)F)CC3CC4=C(C=CC(=C4)F)SC3

InChI

InChI=1S/C23H25F2NO2S/c24-20-3-1-18(2-4-20)23(27)28-14-16-7-9-26(10-8-16)13-17-11-19-12-21(25)5-6-22(19)29-15-17/h1-6,12,16-17H,7-11,13-15H2