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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

CCCCSCC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

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