3-(dimethylaminomethyl)-4-fluoranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(dimethylaminomethyl)-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(dimethylaminomethyl)-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-(dimethylaminomethyl)-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(dimethylaminomethyl)-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(dimethylaminomethyl)-4-fluoro-benzothiophene-2-carboxylic acid Formula: C12H12FNO2S MolecularWeight: 253.292583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FNO2S/c1-14(2)6-7-10-8(13)4-3-5-9(10)17-11(7)12(15)16/h3-5H,6H2,1-2H3,(H,15,16)