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

Systemtic Name: ethyl 2-[2-[[4-cyclohexyl-5-[(furan-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[[4-cyclohexyl-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-cyclohexyl-5-[[[2-furanyl(oxo)methyl]amino]methyl]-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-[[4-cyclohexyl-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[[4-cyclohexyl-5-[(2-furoylamino)methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H35N5O5S2 MolecularWeight: 585.738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NN=C(N3C4CCCCC4)CNC(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NN=C(N3C4CCCCC4)CNC(=O)C5=CC=CO5

InChI

InChI=1S/C28H35N5O5S2/c1-3-37-27(36)23-19-12-7-8-14-21(19)40-26(23)30-24(34)17(2)39-28-32-31-22(33(28)18-10-5-4-6-11-18)16-29-25(35)20-13-9-15-38-20/h9,13,15,17-18H,3-8,10-12,14,16H2,1-2H3,(H,29,35)(H,30,34)