[3-(2-acetamidoethyl)-2-(phenylmethyl)-1-benzothiophen-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(2-acetamidoethyl)-2-(phenylmethyl)-1-benzothiophen-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(2-acetamidoethyl)-2-benzyl-benzothiophen-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-(2-acetamidoethyl)-2-(phenylmethyl)-1-benzothiophen-5-yl] ester IUPAC Name: [3-(2-acetamidoethyl)-2-benzyl-1-benzothiophen-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-(2-acetamidoethyl)-2-benzyl-benzothiophen-5-yl] ester Formula: C20H18F3NO4S2 MolecularWeight: 457.48643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(SC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCC1=C(SC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H18F3NO4S2/c1-13(25)24-10-9-16-17-12-15(28-30(26,27)20(21,22)23)7-8-18(17)29-19(16)11-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,24,25)