4-fluoranyl-3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-[[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]methyl]benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[[4-(2-oxolanylmethyl)-1-piperazinyl]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[[4-(tetrahydrofurfuryl)piperazino]methyl]benzothiophene-2-carboxylic acid Formula: C19H23FN2O3S MolecularWeight: 378.460923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCN(CC2)CC3=C(SC4=CC=CC(=C43)F)C(=O)O

Isomeric SMILES

C1CC(OC1)CN2CCN(CC2)CC3=C(SC4=CC=CC(=C43)F)C(=O)O

InChI

InChI=1S/C19H23FN2O3S/c20-15-4-1-5-16-17(15)14(18(26-16)19(23)24)12-22-8-6-21(7-9-22)11-13-3-2-10-25-13/h1,4-5,13H,2-3,6-12H2,(H,23,24)