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

Systemtic Name: 2-[3-bromanyl-5-[[(1-carboxycyclopentyl)methyl-cyclopropyloxycarbonyl-amino]methyl]-1-benzothiophen-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(cyclopropoxycarbonyl)amino]methyl]benzothiophen-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-[cyclopropyloxy(oxo)methyl]amino]methyl]-1-benzothiophen-2-yl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-cyclopropyloxycarbonylamino]methyl]-1-benzothiophen-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(cyclopropoxycarbonyl)amino]methyl]benzothiophen-2-yl]benzoic acid Formula: C27H26BrNO6S MolecularWeight: 572.46744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CN(CC2=CC3=C(C=C2)SC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)OC5CC5)C(=O)O

Isomeric SMILES

C1CCC(C1)(CN(CC2=CC3=C(C=C2)SC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)OC5CC5)C(=O)O

InChI

InChI=1S/C27H26BrNO6S/c28-22-20-13-16(7-10-21(20)36-23(22)18-5-1-2-6-19(18)24(30)31)14-29(26(34)35-17-8-9-17)15-27(25(32)33)11-3-4-12-27/h1-2,5-7,10,13,17H,3-4,8-9,11-12,14-15H2,(H,30,31)(H,32,33)