3-[4-(2-bromanylpropoxy)phenoxy]-2-(4-fluoranyl-3-methoxy-phenyl)-6-methoxy-1-benzothiophene

Systemtic Name: 3-[4-(2-bromanylpropoxy)phenoxy]-2-(4-fluoranyl-3-methoxy-phenyl)-6-methoxy-1-benzothiophene Openeye Name: 3-[4-(2-bromopropoxy)phenoxy]-2-(4-fluoro-3-methoxy-phenyl)-6-methoxy-benzothiophene CAS Name: 3-[4-(2-bromopropoxy)phenoxy]-2-(4-fluoro-3-methoxyphenyl)-6-methoxy-1-benzothiophene IUPAC Name: 3-[4-(2-bromopropoxy)phenoxy]-2-(4-fluoro-3-methoxyphenyl)-6-methoxy-1-benzothiophene Traditional Name: 3-[4-(2-bromopropoxy)phenoxy]-2-(4-fluoro-3-methoxy-phenyl)-6-methoxy-benzothiophene Formula: C25H22BrFO4S MolecularWeight: 517.407183

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)OC2=C(SC3=C2C=CC(=C3)OC)C4=CC(=C(C=C4)F)OC)Br

Isomeric SMILES

CC(COC1=CC=C(C=C1)OC2=C(SC3=C2C=CC(=C3)OC)C4=CC(=C(C=C4)F)OC)Br

InChI

InChI=1S/C25H22BrFO4S/c1-15(26)14-30-17-5-7-18(8-6-17)31-24-20-10-9-19(28-2)13-23(20)32-25(24)16-4-11-21(27)22(12-16)29-3/h4-13,15H,14H2,1-3H3