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

Systemtic Name: 4-fluoranyl-3-(2-methoxyethylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(2-methoxyethylsulfonylmethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-(2-methoxyethylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(2-methoxyethylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-(2-methoxyethylsulfonylmethyl)benzothiophene-2-carboxylic acid Formula: C13H13FO5S2 MolecularWeight: 332.367723

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Descriptors Computed from Structure

Canonical SMILES:

COCCS(=O)(=O)CC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

COCCS(=O)(=O)CC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C13H13FO5S2/c1-19-5-6-21(17,18)7-8-11-9(14)3-2-4-10(11)20-12(8)13(15)16/h2-4H,5-7H2,1H3,(H,15,16)