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

Systemtic Name: 5-fluoranyl-3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C26H26FNO4S MolecularWeight: 467.552343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4F)O)C5=CC(=CC=C5)O

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4F)O)C5=CC(=CC=C5)O

InChI

InChI=1S/C26H26FNO4S/c27-23-21(30)10-11-22-26(23)33-25(18-4-3-5-19(29)16-18)24(32-22)17-6-8-20(9-7-17)31-15-14-28-12-1-2-13-28/h3-11,16,24-25,29-30H,1-2,12-15H2