4-fluoranyl-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(pyrimidin-2-ylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[(2-pyrimidinylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[(2-pyrimidylthio)methyl]benzothiophene-2-carboxylic acid Formula: C14H9FN2O2S2 MolecularWeight: 320.361863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=C2CSC3=NC=CC=N3)C(=O)O)F

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=C2CSC3=NC=CC=N3)C(=O)O)F

InChI

InChI=1S/C14H9FN2O2S2/c15-9-3-1-4-10-11(9)8(12(21-10)13(18)19)7-20-14-16-5-2-6-17-14/h1-6H,7H2,(H,18,19)