3-(dimethylaminomethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(dimethylaminomethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(dimethylaminomethyl)benzothiophene-2-carboxylic acid CAS Name: 3-(dimethylaminomethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(dimethylaminomethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(dimethylaminomethyl)benzothiophene-2-carboxylic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2S/c1-13(2)7-9-8-5-3-4-6-10(8)16-11(9)12(14)15/h3-6H,7H2,1-2H3,(H,14,15)