4-fluoranyl-3-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-[(2-methoxy-2-oxo-ethyl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[[(2-methoxy-2-oxoethyl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[(2-methoxy-2-oxoethyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[[(2-keto-2-methoxy-ethyl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C13H11FO4S2 MolecularWeight: 314.352443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

COC(=O)CSCC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C13H11FO4S2/c1-18-10(15)6-19-5-7-11-8(14)3-2-4-9(11)20-12(7)13(16)17/h2-4H,5-6H2,1H3,(H,16,17)