ethyl 6-tert-butyl-2-[[6-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3,4,4,5,5-octakis(fluoranyl)-6-oxidanylidene-hexanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[[6-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3,4,4,5,5-octakis(fluoranyl)-6-oxidanylidene-hexanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[[6-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxo-hexanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[6-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3,4,4,5,5-octafluoro-1,6-dioxohexyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[[6-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-oxohexanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[6-[(6-tert-butyl-3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,3,3,4,4,5,5-octafluoro-6-keto-hexanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C36H44F8N2O6S2 MolecularWeight: 816.861586

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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(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)OCC)(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(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)OCC)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C36H44F8N2O6S2/c1-9-51-27(47)23-19-13-11-17(31(3,4)5)15-21(19)53-25(23)45-29(49)33(37,38)35(41,42)36(43,44)34(39,40)30(50)46-26-24(28(48)52-10-2)20-14-12-18(32(6,7)8)16-22(20)54-26/h17-18H,9-16H2,1-8H3,(H,45,49)(H,46,50)