methyl 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(3-phenylpropanoylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(3-phenylpropanoylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2,2,2-trifluoro-1-(3-phenylpropanoylamino)-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1,1,1,3,3,3-hexafluoro-2-[(1-oxo-3-phenylpropyl)amino]propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2,2,2-trifluoro-1-(hydrocinnamoylamino)-1-(trifluoromethyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C23H24F6N2O3S MolecularWeight: 522.503679

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H24F6N2O3S/c1-34-20(33)18-15-10-6-3-7-11-16(15)35-19(18)31-21(22(24,25)26,23(27,28)29)30-17(32)13-12-14-8-4-2-5-9-14/h2,4-5,8-9,31H,3,6-7,10-13H2,1H3,(H,30,32)