2-[3-bromanyl-5-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]-1-benzothiophen-2-yl]benzoic acid

Systemtic Name: 2-[3-bromanyl-5-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]-1-benzothiophen-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]benzothiophen-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(1-oxobutyl)amino]methyl]-1-benzothiophen-2-yl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]-1-benzothiophen-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[[butyryl-[(1-carboxycyclopentyl)methyl]amino]methyl]benzothiophen-2-yl]benzoic acid Formula: C27H28BrNO5S MolecularWeight: 558.48392

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC2=C(C=C1)SC(=C2Br)C3=CC=CC=C3C(=O)O)CC4(CCCC4)C(=O)O

Isomeric SMILES

CCCC(=O)N(CC1=CC2=C(C=C1)SC(=C2Br)C3=CC=CC=C3C(=O)O)CC4(CCCC4)C(=O)O

InChI

InChI=1S/C27H28BrNO5S/c1-2-7-22(30)29(16-27(26(33)34)12-5-6-13-27)15-17-10-11-21-20(14-17)23(28)24(35-21)18-8-3-4-9-19(18)25(31)32/h3-4,8-11,14H,2,5-7,12-13,15-16H2,1H3,(H,31,32)(H,33,34)