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

Systemtic Name: 3-(ethylsulfanylmethyl)-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(ethylsulfanylmethyl)-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[(ethylthio)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(ethylthio)methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C12H11FO2S2 MolecularWeight: 270.342943

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

CCSCC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C12H11FO2S2/c1-2-16-6-7-10-8(13)4-3-5-9(10)17-11(7)12(14)15/h3-5H,2,6H2,1H3,(H,14,15)