[7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-thioxanthen-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-thioxanthen-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [7-(tert-butoxycarbonylamino)-9H-thioxanthen-4-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-9H-thioxanthen-4-yl] ester IUPAC Name: [7-[(2-methylpropan-2-yl)oxycarbonylamino]-9H-thioxanthen-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [7-(tert-butoxycarbonylamino)-9H-thioxanthen-4-yl] ester Formula: C19H18F3NO5S2 MolecularWeight: 461.47513

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)SC3=C(C2)C=CC=C3OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)SC3=C(C2)C=CC=C3OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H18F3NO5S2/c1-18(2,3)27-17(24)23-13-7-8-15-12(10-13)9-11-5-4-6-14(16(11)29-15)28-30(25,26)19(20,21)22/h4-8,10H,9H2,1-3H3,(H,23,24)