methyl 2,2,2-tris(fluoranyl)ethanoate; 2-(1-thiophen-2-ylsulfonylindol-4-yl)oxyethanamine

Systemtic Name: methyl 2,2,2-tris(fluoranyl)ethanoate; 2-(1-thiophen-2-ylsulfonylindol-4-yl)oxyethanamine Openeye Name: methyl 2,2,2-trifluoroacetate; 2-[1-(2-thienylsulfonyl)indol-4-yl]oxyethanamine CAS Name: 2-[(1-thiophen-2-ylsulfonyl-4-indolyl)oxy]ethanamine; 2,2,2-trifluoroacetic acid methyl ester IUPAC Name: methyl 2,2,2-trifluoroacetate; 2-(1-thiophen-2-ylsulfonylindol-4-yl)oxyethanamine Traditional Name: 2-[1-(2-thienylsulfonyl)indol-4-yl]oxyethylamine; 2,2,2-trifluoroacetic acid methyl ester Formula: C17H17F3N2O5S2 MolecularWeight: 450.45249

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(F)(F)F.C1=CC2=C(C=CN2S(=O)(=O)C3=CC=CS3)C(=C1)OCCN

Isomeric SMILES

COC(=O)C(F)(F)F.C1=CC2=C(C=CN2S(=O)(=O)C3=CC=CS3)C(=C1)OCCN

InChI

InChI=1S/C14H14N2O3S2.C3H3F3O2/c15-7-9-19-13-4-1-3-12-11(13)6-8-16(12)21(17,18)14-5-2-10-20-14;1-8-2(7)3(4,5)6/h1-6,8,10H,7,9,15H2;1H3