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

Systemtic Name: 4-fluoranyl-3-(phenylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(phenylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[(phenylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(phenylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[(phenylthio)methyl]benzothiophene-2-carboxylic acid Formula: C16H11FO2S2 MolecularWeight: 318.385743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=C(SC3=CC=CC(=C32)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC2=C(SC3=CC=CC(=C32)F)C(=O)O

InChI

InChI=1S/C16H11FO2S2/c17-12-7-4-8-13-14(12)11(15(21-13)16(18)19)9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19)