(3-bromanyl-4-fluoranyl-phenyl)-[6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)-[6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Openeye Name: (3-bromo-4-fluoro-phenyl)-[6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methanone CAS Name: (3-bromo-4-fluorophenyl)-[6-methoxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methanone IUPAC Name: (3-bromo-4-fluorophenyl)-[6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Traditional Name: (3-bromo-4-fluoro-phenyl)-[6-methoxy-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methanone Formula: C28H25BrFNO3S MolecularWeight: 554.470403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCN4CCCC4)C(=O)C5=CC(=C(C=C5)F)Br

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCN4CCCC4)C(=O)C5=CC(=C(C=C5)F)Br

InChI

InChI=1S/C28H25BrFNO3S/c1-33-21-9-10-22-25(17-21)35-28(26(22)27(32)19-6-11-24(30)23(29)16-19)18-4-7-20(8-5-18)34-15-14-31-12-2-3-13-31/h4-11,16-17H,2-3,12-15H2,1H3