4-fluoranyl-3-[[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-[[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-[[methyl-[2-(methylamino)-2-oxo-ethyl]amino]methyl]benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[[[2-keto-2-(methylamino)ethyl]-methyl-amino]methyl]benzothiophene-2-carboxylic acid Formula: C14H15FN2O3S MolecularWeight: 310.343903

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(C)CC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

CNC(=O)CN(C)CC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C14H15FN2O3S/c1-16-11(18)7-17(2)6-8-12-9(15)4-3-5-10(12)21-13(8)14(19)20/h3-5H,6-7H2,1-2H3,(H,16,18)(H,19,20)