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

Systemtic Name: 3-(tert-butylsulfanylmethyl)-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(tert-butylsulfanylmethyl)-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[(tert-butylthio)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(tert-butylsulfanylmethyl)-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(tert-butylthio)methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C14H15FO2S2 MolecularWeight: 298.396103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

CC(C)(C)SCC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C14H15FO2S2/c1-14(2,3)18-7-8-11-9(15)5-4-6-10(11)19-12(8)13(16)17/h4-6H,7H2,1-3H3,(H,16,17)