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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC)CC1=C(SC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCC(C)N(CC)CC1=C(SC2=CC=CC=C21)C(=O)O

InChI

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