ethyl 5-(diethylcarbamoyl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(diethylcarbamoyl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-oxononyl)amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20F16N2O4S MolecularWeight: 712.444651

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)OCC)C

InChI

InChI=1S/C22H20F16N2O4S/c1-5-40(6-2)12(41)10-8(4)9(13(42)44-7-3)11(45-10)39-15(43)17(27,28)19(31,32)21(35,36)22(37,38)20(33,34)18(29,30)16(25,26)14(23)24/h14H,5-7H2,1-4H3,(H,39,43)