4-fluoranyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[1,2-dimethylpropyl(methyl)amino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[[methyl(3-methylbutan-2-yl)amino]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[[methyl(3-methylbutan-2-yl)amino]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[1,2-dimethylpropyl(methyl)amino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C16H20FNO2S MolecularWeight: 309.398903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N(C)CC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

CC(C)C(C)N(C)CC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C16H20FNO2S/c1-9(2)10(3)18(4)8-11-14-12(17)6-5-7-13(14)21-15(11)16(19)20/h5-7,9-10H,8H2,1-4H3,(H,19,20)