3-azanyl-6-(2-azanylethyl)-4-[2,2,2-tris(fluoranyl)ethoxy]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-azanyl-6-(2-azanylethyl)-4-[2,2,2-tris(fluoranyl)ethoxy]-1-benzothiophene-2-carboxamide Openeye Name: 3-amino-6-(2-aminoethyl)-4-(2,2,2-trifluoroethoxy)benzothiophene-2-carboxamide CAS Name: 3-amino-6-(2-aminoethyl)-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxamide IUPAC Name: 3-amino-6-(2-aminoethyl)-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxamide Traditional Name: 3-amino-6-(2-aminoethyl)-4-(2,2,2-trifluoroethoxy)benzothiophene-2-carboxamide Formula: C13H14F3N3O2S MolecularWeight: 333.32937

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1OCC(F)(F)F)C(=C(S2)C(=O)N)N)CCN

Isomeric SMILES

C1=C(C=C2C(=C1OCC(F)(F)F)C(=C(S2)C(=O)N)N)CCN

InChI

InChI=1S/C13H14F3N3O2S/c14-13(15,16)5-21-7-3-6(1-2-17)4-8-9(7)10(18)11(22-8)12(19)20/h3-4H,1-2,5,17-18H2,(H2,19,20)