ethyl 2-[2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)benzothiophene-3-carboxylate CAS Name: 2-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-oxoheptyl)amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)benzothiophene-3-carboxylic acid ethyl ester Formula: C18H11F12NO3S MolecularWeight: 549.330678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H11F12NO3S/c1-2-34-11(32)9-7-5-3-4-6-8(7)35-10(9)31-13(33)15(23,24)17(27,28)18(29,30)16(25,26)14(21,22)12(19)20/h3-6,12H,2H2,1H3,(H,31,33)