methanesulfonic acid; 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: methanesulfonic acid; 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: methanesulfonic acid; 3-(4-pyridylamino)-6-(trifluoromethyl)benzothiophene-2-carboxylic acid CAS Name: methanesulfonic acid; 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: methanesulfonic acid; 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: mesylic acid; 3-(4-pyridylamino)-6-(trifluoromethyl)benzothiophene-2-carboxylic acid Formula: C16H13F3N2O5S2 MolecularWeight: 434.41003

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC2=C(C=C1C(F)(F)F)SC(=C2NC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)O.C1=CC2=C(C=C1C(F)(F)F)SC(=C2NC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C15H9F3N2O2S.CH4O3S/c16-15(17,18)8-1-2-10-11(7-8)23-13(14(21)22)12(10)20-9-3-5-19-6-4-9;1-5(2,3)4/h1-7H,(H,19,20)(H,21,22);1H3,(H,2,3,4)