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

Systemtic Name: 5-fluoranyl-3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylpropoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylpropoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-[2-(1-pyrrolidinyl)propoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylpropoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: 5-fluoro-3-(3-hydroxyphenyl)-2-[4-(2-pyrrolidinopropoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C27H28FNO4S MolecularWeight: 481.578923

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)C2C(SC3=C(O2)C=CC(=C3F)O)C4=CC(=CC=C4)O)N5CCCC5

Isomeric SMILES

CC(COC1=CC=C(C=C1)C2C(SC3=C(O2)C=CC(=C3F)O)C4=CC(=CC=C4)O)N5CCCC5

InChI

InChI=1S/C27H28FNO4S/c1-17(29-13-2-3-14-29)16-32-21-9-7-18(8-10-21)25-26(19-5-4-6-20(30)15-19)34-27-23(33-25)12-11-22(31)24(27)28/h4-12,15,17,25-26,30-31H,2-3,13-14,16H2,1H3