3-[[methyl(pentyl)amino]methyl]-1-benzothiophene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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