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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2S/c1-3-5-10-17(4-2)11-13-12-8-6-7-9-14(12)20-15(13)16(18)19/h6-9H,3-5,10-11H2,1-2H3,(H,18,19)