ethyl 2-[2-[[4-(4-bromophenyl)-5-[(furan-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[4-(4-bromophenyl)-5-[(furan-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[[4-(4-bromophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(4-bromophenyl)-5-[[[2-furanyl(oxo)methyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-(4-bromophenyl)-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[2-[[4-(4-bromophenyl)-5-[(2-furoylamino)methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C27H26BrN5O5S2 MolecularWeight: 644.55984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NN=C(N3C4=CC=C(C=C4)Br)CNC(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NN=C(N3C4=CC=C(C=C4)Br)CNC(=O)C5=CC=CO5

InChI

InChI=1S/C27H26BrN5O5S2/c1-3-37-26(36)22-18-6-4-8-20(18)40-25(22)30-23(34)15(2)39-27-32-31-21(14-29-24(35)19-7-5-13-38-19)33(27)17-11-9-16(28)10-12-17/h5,7,9-13,15H,3-4,6,8,14H2,1-2H3,(H,29,35)(H,30,34)