1-[[[3-bromanyl-2-(2-ethoxycarbonylphenyl)-1-benzothiophen-5-yl]methylamino]methyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[[3-bromanyl-2-(2-ethoxycarbonylphenyl)-1-benzothiophen-5-yl]methylamino]methyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[[[3-bromo-2-(2-ethoxycarbonylphenyl)benzothiophen-5-yl]methylamino]methyl]cyclopentanecarboxylic acid CAS Name: 1-[[[3-bromo-2-(2-ethoxycarbonylphenyl)-1-benzothiophen-5-yl]methylamino]methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[[3-bromo-2-(2-ethoxycarbonylphenyl)-1-benzothiophen-5-yl]methylamino]methyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[[[3-bromo-2-(2-carbethoxyphenyl)benzothiophen-5-yl]methylamino]methyl]cyclopentanecarboxylic acid Formula: C25H26BrNO4S MolecularWeight: 516.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=C(C3=C(S2)C=CC(=C3)CNCC4(CCCC4)C(=O)O)Br

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C(C3=C(S2)C=CC(=C3)CNCC4(CCCC4)C(=O)O)Br

InChI

InChI=1S/C25H26BrNO4S/c1-2-31-23(28)18-8-4-3-7-17(18)22-21(26)19-13-16(9-10-20(19)32-22)14-27-15-25(24(29)30)11-5-6-12-25/h3-4,7-10,13,27H,2,5-6,11-12,14-15H2,1H3,(H,29,30)