3-(butan-2-ylsulfanylmethyl)-4-fluoranyl-1-benzothiophene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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