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

Systemtic Name: (4-bromanyl-3-methyl-phenyl)-[6-phenylmethoxy-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Openeye Name: [6-benzyloxy-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]-(4-bromo-3-methyl-phenyl)methanone CAS Name: (4-bromo-3-methylphenyl)-[6-phenylmethoxy-2-[4-[1-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methanone IUPAC Name: (4-bromo-3-methylphenyl)-[6-phenylmethoxy-2-[4-(1-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Traditional Name: [6-benzoxy-2-[4-(1-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]-(4-bromo-3-methyl-phenyl)methanone Formula: C35H32BrNO3S MolecularWeight: 626.60248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)OC(C)N6CCCC6)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)OC(C)N6CCCC6)Br

InChI

InChI=1S/C35H32BrNO3S/c1-23-20-27(12-17-31(23)36)34(38)33-30-16-15-29(39-22-25-8-4-3-5-9-25)21-32(30)41-35(33)26-10-13-28(14-11-26)40-24(2)37-18-6-7-19-37/h3-5,8-17,20-21,24H,6-7,18-19,22H2,1-2H3