ethyl 2-[2-[[5-[(furan-2-ylcarbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[5-[(furan-2-ylcarbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[[5-[(furan-2-carbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[5-[[[2-furanyl(oxo)methyl]amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[[5-[(furan-2-carbonylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[[5-[(2-furoylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H28F3N5O5S2 MolecularWeight: 647.68833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)CNC(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)CNC(=O)C5=CC=CO5

InChI

InChI=1S/C29H28F3N5O5S2/c1-3-41-27(40)23-19-10-4-5-12-21(19)44-26(23)34-24(38)16(2)43-28-36-35-22(15-33-25(39)20-11-7-13-42-20)37(28)18-9-6-8-17(14-18)29(30,31)32/h6-9,11,13-14,16H,3-5,10,12,15H2,1-2H3,(H,33,39)(H,34,38)