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

Systemtic Name: 3-[[butyl(methyl)amino]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[butyl(methyl)amino]methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[butyl(methyl)amino]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[butyl(methyl)amino]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[butyl(methyl)amino]methyl]benzothiophene-2-carboxylic acid Formula: C15H19NO2S MolecularWeight: 277.38186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO2S/c1-3-4-9-16(2)10-12-11-7-5-6-8-13(11)19-14(12)15(17)18/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)