3-(tert-butylsulfonylmethyl)-4-fluoranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(tert-butylsulfonylmethyl)-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(tert-butylsulfonylmethyl)-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-(tert-butylsulfonylmethyl)-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(tert-butylsulfonylmethyl)-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(tert-butylsulfonylmethyl)-4-fluoro-benzothiophene-2-carboxylic acid Formula: C14H15FO4S2 MolecularWeight: 330.394903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15FO4S2/c1-14(2,3)21(18,19)7-8-11-9(15)5-4-6-10(11)20-12(8)13(16)17/h4-6H,7H2,1-3H3,(H,16,17)