2-(2-methyl-3-oxidanyl-phenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol

Systemtic Name: 2-(2-methyl-3-oxidanyl-phenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol Openeye Name: 2-(3-hydroxy-2-methyl-phenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzothiophen-6-ol CAS Name: 2-(3-hydroxy-2-methylphenyl)-3-[4-[2-(1-pyrrolidinyl)ethoxy]phenoxy]-1-benzothiophen-6-ol IUPAC Name: 2-(3-hydroxy-2-methylphenyl)-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol Traditional Name: 2-(3-hydroxy-2-methyl-phenyl)-3-[4-(2-pyrrolidinoethoxy)phenoxy]benzothiophen-6-ol Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=C(C=CC=C1O)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C27H27NO4S/c1-18-22(5-4-6-24(18)30)27-26(23-12-7-19(29)17-25(23)33-27)32-21-10-8-20(9-11-21)31-16-15-28-13-2-3-14-28/h4-12,17,29-30H,2-3,13-16H2,1H3