3-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C16H18FNO2S MolecularWeight: 307.383023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(C)CC2=C(SC3=CC=CC(=C32)F)C(=O)O

Isomeric SMILES

CC(C1CC1)N(C)CC2=C(SC3=CC=CC(=C32)F)C(=O)O

InChI

InChI=1S/C16H18FNO2S/c1-9(10-6-7-10)18(2)8-11-14-12(17)4-3-5-13(14)21-15(11)16(19)20/h3-5,9-10H,6-8H2,1-2H3,(H,19,20)