2-[1-bromanyl-6-(3-pentanoyl-1-benzothiophen-2-yl)naphthalen-2-yl]oxyethanoic acid

Systemtic Name: 2-[1-bromanyl-6-(3-pentanoyl-1-benzothiophen-2-yl)naphthalen-2-yl]oxyethanoic acid Openeye Name: 2-[[1-bromo-6-(3-pentanoylbenzothiophen-2-yl)-2-naphthyl]oxy]acetic acid CAS Name: 2-[[1-bromo-6-[3-(1-oxopentyl)-1-benzothiophen-2-yl]-2-naphthalenyl]oxy]acetic acid IUPAC Name: 2-[1-bromo-6-(3-pentanoyl-1-benzothiophen-2-yl)naphthalen-2-yl]oxyacetic acid Traditional Name: 2-[1-bromo-6-(3-valerylbenzothiophen-2-yl)-2-naphthoxy]acetic acid Formula: C25H21BrO4S MolecularWeight: 497.40084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(SC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC(=O)O)Br

Isomeric SMILES

CCCCC(=O)C1=C(SC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC(=O)O)Br

InChI

InChI=1S/C25H21BrO4S/c1-2-3-7-19(27)23-18-6-4-5-8-21(18)31-25(23)16-9-11-17-15(13-16)10-12-20(24(17)26)30-14-22(28)29/h4-6,8-13H,2-3,7,14H2,1H3,(H,28,29)