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

Systemtic Name: [3-(2-acetamidoethyl)-1-benzothiophen-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(2-acetamidoethyl)benzothiophen-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-(2-acetamidoethyl)-1-benzothiophen-5-yl] ester IUPAC Name: [3-(2-acetamidoethyl)-1-benzothiophen-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-(2-acetamidoethyl)benzothiophen-5-yl] ester Formula: C13H12F3NO4S2 MolecularWeight: 367.36389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CSC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(=O)NCCC1=CSC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H12F3NO4S2/c1-8(18)17-5-4-9-7-22-12-3-2-10(6-11(9)12)21-23(19,20)13(14,15)16/h2-3,6-7H,4-5H2,1H3,(H,17,18)