3-[[propan-2-yl(propyl)amino]methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[propan-2-yl(propyl)amino]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[isopropyl(propyl)amino]methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[propan-2-yl(propyl)amino]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[propan-2-yl(propyl)amino]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[isopropyl(propyl)amino]methyl]benzothiophene-2-carboxylic acid Formula: C16H21NO2S MolecularWeight: 291.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(SC2=CC=CC=C21)C(=O)O)C(C)C

Isomeric SMILES

CCCN(CC1=C(SC2=CC=CC=C21)C(=O)O)C(C)C

InChI

InChI=1S/C16H21NO2S/c1-4-9-17(11(2)3)10-13-12-7-5-6-8-14(12)20-15(13)16(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)