2-[4-[1-(8-fluoranyl-3,4-dihydro-2H-thiochromen-6-yl)-6-oxidanylidene-piperidin-2-yl]but-2-ynoxy]ethanoic acid

Systemtic Name: 2-[4-[1-(8-fluoranyl-3,4-dihydro-2H-thiochromen-6-yl)-6-oxidanylidene-piperidin-2-yl]but-2-ynoxy]ethanoic acid Openeye Name: 2-[4-[1-(8-fluorothiochroman-6-yl)-6-oxo-2-piperidyl]but-2-ynoxy]acetic acid CAS Name: 2-[4-[1-(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-6-yl)-6-oxo-2-piperidinyl]but-2-ynoxy]acetic acid IUPAC Name: 2-[4-[1-(8-fluoro-3,4-dihydro-2H-thiochromen-6-yl)-6-oxopiperidin-2-yl]but-2-ynoxy]acetic acid Traditional Name: 2-[4-[1-(8-fluorothiochroman-6-yl)-6-keto-2-piperidyl]but-2-ynoxy]acetic acid Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)C2=CC(=C3C(=C2)CCCS3)F)CC#CCOCC(=O)O

Isomeric SMILES

C1CC(N(C(=O)C1)C2=CC(=C3C(=C2)CCCS3)F)CC#CCOCC(=O)O

InChI

InChI=1S/C20H22FNO4S/c21-17-12-16(11-14-5-4-10-27-20(14)17)22-15(7-3-8-18(22)23)6-1-2-9-26-13-19(24)25/h11-12,15H,3-10,13H2,(H,24,25)