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

Systemtic Name: 3-[[2-cyanoethyl(methyl)amino]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[2-cyanoethyl(methyl)amino]methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[2-cyanoethyl(methyl)amino]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[2-cyanoethyl(methyl)amino]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[2-cyanoethyl(methyl)amino]methyl]benzothiophene-2-carboxylic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2S/c1-16(8-4-7-15)9-11-10-5-2-3-6-12(10)19-13(11)14(17)18/h2-3,5-6H,4,8-9H2,1H3,(H,17,18)