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

Systemtic Name: ethyl 6-tert-butyl-2-[2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-oxoheptyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H23F12NO3S MolecularWeight: 609.468758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)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=C1CCC(C2)C(C)(C)C)NC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C22H23F12NO3S/c1-5-38-14(36)12-10-7-6-9(17(2,3)4)8-11(10)39-13(12)35-16(37)19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)15(23)24/h9,15H,5-8H2,1-4H3,(H,35,37)