3-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[ethyl(isobutyl)amino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[ethyl(2-methylpropyl)amino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[ethyl(isobutyl)amino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C16H20FNO2S MolecularWeight: 309.398903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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