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

Systemtic Name: 2-[3-bromanyl-5-[[(1-carboxycyclopentyl)methyl-pentanoyl-amino]methyl]-1-benzothiophen-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-pentanoyl-amino]methyl]benzothiophen-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-(1-oxopentyl)amino]methyl]-1-benzothiophen-2-yl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-pentanoylamino]methyl]-1-benzothiophen-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[[(1-carboxycyclopentyl)methyl-valeryl-amino]methyl]benzothiophen-2-yl]benzoic acid Formula: C28H30BrNO5S MolecularWeight: 572.5105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrNO5S/c1-2-3-10-23(31)30(17-28(27(34)35)13-6-7-14-28)16-18-11-12-22-21(15-18)24(29)25(36-22)19-8-4-5-9-20(19)26(32)33/h4-5,8-9,11-12,15H,2-3,6-7,10,13-14,16-17H2,1H3,(H,32,33)(H,34,35)