4-fluoranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-[(3-oxopiperazin-1-yl)methyl]benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[(3-oxo-1-piperazinyl)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[(3-oxopiperazin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[(3-ketopiperazino)methyl]benzothiophene-2-carboxylic acid Formula: C14H13FN2O3S MolecularWeight: 308.328023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(SC3=CC=CC(=C32)F)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(SC3=CC=CC(=C32)F)C(=O)O

InChI

InChI=1S/C14H13FN2O3S/c15-9-2-1-3-10-12(9)8(13(21-10)14(19)20)6-17-5-4-16-11(18)7-17/h1-3H,4-7H2,(H,16,18)(H,19,20)