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

Systemtic Name: 4-fluoranyl-3-[(3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-[(3-methoxy-3-oxo-propyl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[[(3-methoxy-3-oxopropyl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[(3-methoxy-3-oxopropyl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[[(3-keto-3-methoxy-propyl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C14H13FO4S2 MolecularWeight: 328.379023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FO4S2/c1-19-11(16)5-6-20-7-8-12-9(15)3-2-4-10(12)21-13(8)14(17)18/h2-4H,5-7H2,1H3,(H,17,18)