ethyl 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1-benzothiophene-2-carboxylate hydrochloride

Systemtic Name: ethyl 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1-benzothiophene-2-carboxylate hydrochloride Openeye Name: ethyl 3-(4-pyridylamino)-6-(trifluoromethyl)benzothiophene-2-carboxylate hydrochloride CAS Name: 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-(pyridin-4-ylamino)-6-(trifluoromethyl)-1-benzothiophene-2-carboxylate hydrochloride Traditional Name: 3-(4-pyridylamino)-6-(trifluoromethyl)benzothiophene-2-carboxylic acid ethyl ester hydrochloride Formula: C17H14ClF3N2O2S MolecularWeight: 402.81847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)C(F)(F)F)NC3=CC=NC=C3.Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)C(F)(F)F)NC3=CC=NC=C3.Cl

InChI

InChI=1S/C17H13F3N2O2S.ClH/c1-2-24-16(23)15-14(22-11-5-7-21-8-6-11)12-4-3-10(17(18,19)20)9-13(12)25-15;/h3-9H,2H2,1H3,(H,21,22);1H