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

Systemtic Name: (4-bromanyl-3-methyl-phenyl)-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Openeye Name: (4-bromo-3-methyl-phenyl)-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methanone CAS Name: (4-bromo-3-methylphenyl)-[2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methanone IUPAC Name: (4-bromo-3-methylphenyl)-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Traditional Name: (4-bromo-3-methyl-phenyl)-[2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methanone Formula: C28H26BrNO2S MolecularWeight: 520.48054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5)Br

InChI

InChI=1S/C28H26BrNO2S/c1-19-18-21(10-13-24(19)29)27(31)26-23-6-2-3-7-25(23)33-28(26)20-8-11-22(12-9-20)32-17-16-30-14-4-5-15-30/h2-3,6-13,18H,4-5,14-17H2,1H3