[2-[1-(2-methylpropanoylamino)ethyl]-1-benzothiophen-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-[1-(2-methylpropanoylamino)ethyl]-1-benzothiophen-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-[1-(2-methylpropanoylamino)ethyl]benzothiophen-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-[1-[(2-methyl-1-oxopropyl)amino]ethyl]-1-benzothiophen-5-yl] ester IUPAC Name: [2-[1-(2-methylpropanoylamino)ethyl]-1-benzothiophen-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-[1-(isobutyrylamino)ethyl]benzothiophen-5-yl] ester Formula: C15H16F3NO4S2 MolecularWeight: 395.41705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C)C1=CC2=C(S1)C=CC(=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)C(=O)NC(C)C1=CC2=C(S1)C=CC(=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H16F3NO4S2/c1-8(2)14(20)19-9(3)13-7-10-6-11(4-5-12(10)24-13)23-25(21,22)15(16,17)18/h4-9H,1-3H3,(H,19,20)