2-[3-bromanyl-5-[2-[(1-carboxycyclopentyl)methylcarbamoyloxy]butyl]-1-benzothiophen-2-yl]benzoic acid

Systemtic Name: 2-[3-bromanyl-5-[2-[(1-carboxycyclopentyl)methylcarbamoyloxy]butyl]-1-benzothiophen-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[2-[(1-carboxycyclopentyl)methylcarbamoyloxy]butyl]benzothiophen-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[2-[[(1-carboxycyclopentyl)methylamino]-oxomethoxy]butyl]-1-benzothiophen-2-yl]benzoic acid IUPAC Name: 2-[3-bromo-5-[2-[(1-carboxycyclopentyl)methylcarbamoyloxy]butyl]-1-benzothiophen-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[2-[(1-carboxycyclopentyl)methylcarbamoyloxy]butyl]benzothiophen-2-yl]benzoic acid Formula: C27H28BrNO6S MolecularWeight: 574.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC2=C(C=C1)SC(=C2Br)C3=CC=CC=C3C(=O)O)OC(=O)NCC4(CCCC4)C(=O)O

Isomeric SMILES

CCC(CC1=CC2=C(C=C1)SC(=C2Br)C3=CC=CC=C3C(=O)O)OC(=O)NCC4(CCCC4)C(=O)O

InChI

InChI=1S/C27H28BrNO6S/c1-2-17(35-26(34)29-15-27(25(32)33)11-5-6-12-27)13-16-9-10-21-20(14-16)22(28)23(36-21)18-7-3-4-8-19(18)24(30)31/h3-4,7-10,14,17H,2,5-6,11-13,15H2,1H3,(H,29,34)(H,30,31)(H,32,33)