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

Systemtic Name: 3-(diethylaminomethyl)-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(diethylaminomethyl)-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-(diethylaminomethyl)-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(diethylaminomethyl)-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(diethylaminomethyl)-4-fluoro-benzothiophene-2-carboxylic acid Formula: C14H16FNO2S MolecularWeight: 281.345743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16FNO2S/c1-3-16(4-2)8-9-12-10(15)6-5-7-11(12)19-13(9)14(17)18/h5-7H,3-4,8H2,1-2H3,(H,17,18)