[3-(2-acetamidoethyl)-5-methoxy-1-benzothiophen-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(2-acetamidoethyl)-5-methoxy-1-benzothiophen-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(2-acetamidoethyl)-5-methoxy-benzothiophen-4-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-(2-acetamidoethyl)-5-methoxy-1-benzothiophen-4-yl] ester IUPAC Name: [3-(2-acetamidoethyl)-5-methoxy-1-benzothiophen-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-(2-acetamidoethyl)-5-methoxy-benzothiophen-4-yl] ester Formula: C14H14F3NO5S2 MolecularWeight: 397.38987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3NO5S2/c1-8(19)18-6-5-9-7-24-11-4-3-10(22-2)13(12(9)11)23-25(20,21)14(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,18,19)