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

Systemtic Name: (4-bromanyl-3-methyl-phenyl)-[6-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Openeye Name: (4-bromo-3-methyl-phenyl)-[6-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methanone CAS Name: (4-bromo-3-methylphenyl)-[6-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methanone IUPAC Name: (4-bromo-3-methylphenyl)-[6-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone Traditional Name: (4-bromo-3-methyl-phenyl)-[6-methyl-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methanone Formula: C29H28BrNO2S MolecularWeight: 534.50712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCN4CCCC4)C(=O)C5=CC(=C(C=C5)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCN4CCCC4)C(=O)C5=CC(=C(C=C5)Br)C

InChI

InChI=1S/C29H28BrNO2S/c1-19-5-11-24-26(17-19)34-29(27(24)28(32)22-8-12-25(30)20(2)18-22)21-6-9-23(10-7-21)33-16-15-31-13-3-4-14-31/h5-12,17-18H,3-4,13-16H2,1-2H3