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

Systemtic Name: 3-[4-(2-bromanylpropoxy)phenoxy]-6-methoxy-2-(3-methoxyphenyl)-1-benzothiophene Openeye Name: 3-[4-(2-bromopropoxy)phenoxy]-6-methoxy-2-(3-methoxyphenyl)benzothiophene CAS Name: 3-[4-(2-bromopropoxy)phenoxy]-6-methoxy-2-(3-methoxyphenyl)-1-benzothiophene IUPAC Name: 3-[4-(2-bromopropoxy)phenoxy]-6-methoxy-2-(3-methoxyphenyl)-1-benzothiophene Traditional Name: 3-[4-(2-bromopropoxy)phenoxy]-6-methoxy-2-(3-methoxyphenyl)benzothiophene Formula: C25H23BrO4S MolecularWeight: 499.41672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrO4S/c1-16(26)15-29-18-7-9-19(10-8-18)30-24-22-12-11-21(28-3)14-23(22)31-25(24)17-5-4-6-20(13-17)27-2/h4-14,16H,15H2,1-3H3