4-fluoranyl-3-(3-methylbutoxymethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-(3-methylbutoxymethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(isopentyloxymethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-(3-methylbutoxymethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(3-methylbutoxymethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-(isoamoxymethyl)benzothiophene-2-carboxylic acid Formula: C15H17FO3S MolecularWeight: 296.357083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

CC(C)CCOCC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C15H17FO3S/c1-9(2)6-7-19-8-10-13-11(16)4-3-5-12(13)20-14(10)15(17)18/h3-5,9H,6-8H2,1-2H3,(H,17,18)