methyl 1-tert-butyl-4-[pentakis(fluoranyl)-$l^{6}-sulfanyl]-3-phenethyl-pyrrole-2-carboxylate

Systemtic Name: methyl 1-tert-butyl-4-[pentakis(fluoranyl)-$l^{6}-sulfanyl]-3-phenethyl-pyrrole-2-carboxylate Openeye Name: methyl 1-tert-butyl-4-(pentafluoro-$l^{6}-sulfanyl)-3-phenethyl-pyrrole-2-carboxylate CAS Name: 1-tert-butyl-4-(pentafluoro-$l^{6}-sulfanyl)-3-phenethyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-tert-butyl-4-(pentafluoro-$l^{6}-sulfanyl)-3-phenethylpyrrole-2-carboxylate Traditional Name: 1-tert-butyl-4-pentafluoropersulfuranyl-3-phenethyl-pyrrole-2-carboxylic acid methyl ester Formula: C18H22F5NO2S MolecularWeight: 411.429796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=C1C(=O)OC)CCC2=CC=CC=C2)S(F)(F)(F)(F)F

Isomeric SMILES

CC(C)(C)N1C=C(C(=C1C(=O)OC)CCC2=CC=CC=C2)S(F)(F)(F)(F)F

InChI

InChI=1S/C18H22F5NO2S/c1-18(2,3)24-12-15(27(19,20,21,22)23)14(16(24)17(25)26-4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3