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

Systemtic Name: 4-fluoranyl-3-(propylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(propylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[(propylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(propylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[(propylthio)methyl]benzothiophene-2-carboxylic acid Formula: C13H13FO2S2 MolecularWeight: 284.369523

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

CCCSCC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C13H13FO2S2/c1-2-6-17-7-8-11-9(14)4-3-5-10(11)18-12(8)13(15)16/h3-5H,2,6-7H2,1H3,(H,15,16)