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

Systemtic Name: 3-[[(2-azanyl-2-oxidanylidene-ethyl)-methyl-amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[(2-amino-2-oxo-ethyl)-methyl-amino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[[(2-amino-2-oxoethyl)-methylamino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[(2-amino-2-oxoethyl)-methylamino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[(2-amino-2-keto-ethyl)-methyl-amino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C13H13FN2O3S MolecularWeight: 296.317323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2O3S/c1-16(6-10(15)17)5-7-11-8(14)3-2-4-9(11)20-12(7)13(18)19/h2-4H,5-6H2,1H3,(H2,15,17)(H,18,19)