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

Systemtic Name: 3-[[bis(cyanomethyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[bis(cyanomethyl)amino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[[bis(cyanomethyl)amino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[bis(cyanomethyl)amino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[bis(cyanomethyl)amino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C14H10FN3O2S MolecularWeight: 303.311503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=C2CN(CC#N)CC#N)C(=O)O)F

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=C2CN(CC#N)CC#N)C(=O)O)F

InChI

InChI=1S/C14H10FN3O2S/c15-10-2-1-3-11-12(10)9(13(21-11)14(19)20)8-18(6-4-16)7-5-17/h1-3H,6-8H2,(H,19,20)