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

Systemtic Name: 2-[3-bromanyl-5-[[(1-carboxycyclopentyl)methyl-ethoxycarbonyl-amino]methyl]-1-benzothiophen-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-ethoxycarbonyl-amino]methyl]benzothiophen-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-ethoxycarbonylamino]methyl]-1-benzothiophen-2-yl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-ethoxycarbonylamino]methyl]-1-benzothiophen-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[[carbethoxy-[(1-carboxycyclopentyl)methyl]amino]methyl]benzothiophen-2-yl]benzoic acid Formula: C26H26BrNO6S MolecularWeight: 560.45674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrNO6S/c1-2-34-25(33)28(15-26(24(31)32)11-5-6-12-26)14-16-9-10-20-19(13-16)21(27)22(35-20)17-7-3-4-8-18(17)23(29)30/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,29,30)(H,31,32)