2-[1-(1-benzothiophen-5-ylmethyl)-5-bromanyl-2-carboxyoxy-2-[(pentanoylamino)methyl]cyclopentyl]benzoic acid

Systemtic Name: 2-[1-(1-benzothiophen-5-ylmethyl)-5-bromanyl-2-carboxyoxy-2-[(pentanoylamino)methyl]cyclopentyl]benzoic acid Openeye Name: 2-[1-(benzothiophen-5-ylmethyl)-5-bromo-2-carboxyoxy-2-[(pentanoylamino)methyl]cyclopentyl]benzoic acid CAS Name: 2-[1-(1-benzothiophen-5-ylmethyl)-5-bromo-2-carboxyoxy-2-[(1-oxopentylamino)methyl]cyclopentyl]benzoic acid IUPAC Name: 2-[1-(1-benzothiophen-5-ylmethyl)-5-bromo-2-carboxyoxy-2-[(pentanoylamino)methyl]cyclopentyl]benzoic acid Traditional Name: 2-[1-(benzothiophen-5-ylmethyl)-5-bromo-2-carboxyoxy-2-[(valerylamino)methyl]cyclopentyl]benzoic acid Formula: C28H30BrNO6S MolecularWeight: 588.5099

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC1(CCC(C1(CC2=CC3=C(C=C2)SC=C3)C4=CC=CC=C4C(=O)O)Br)OC(=O)O

Isomeric SMILES

CCCCC(=O)NCC1(CCC(C1(CC2=CC3=C(C=C2)SC=C3)C4=CC=CC=C4C(=O)O)Br)OC(=O)O

InChI

InChI=1S/C28H30BrNO6S/c1-2-3-8-24(31)30-17-27(36-26(34)35)13-11-23(29)28(27,21-7-5-4-6-20(21)25(32)33)16-18-9-10-22-19(15-18)12-14-37-22/h4-7,9-10,12,14-15,23H,2-3,8,11,13,16-17H2,1H3,(H,30,31)(H,32,33)(H,34,35)