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

Systemtic Name: 4-fluoranyl-3-(2-methylpropylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(isobutylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[(2-methylpropylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(2-methylpropylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[(isobutylthio)methyl]benzothiophene-2-carboxylic acid Formula: C14H15FO2S2 MolecularWeight: 298.396103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15FO2S2/c1-8(2)6-18-7-9-12-10(15)4-3-5-11(12)19-13(9)14(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17)