5-fluoranyl-3-(3-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol

Systemtic Name: 5-fluoranyl-3-(3-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C27H28FNO4S MolecularWeight: 481.578923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4F)O)C5=CC(=CC=C5)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4F)O)C5=CC(=CC=C5)O

InChI

InChI=1S/C27H28FNO4S/c28-24-22(31)11-12-23-27(24)34-26(19-5-4-6-20(30)17-19)25(33-23)18-7-9-21(10-8-18)32-16-15-29-13-2-1-3-14-29/h4-12,17,25-26,30-31H,1-3,13-16H2