ethyl 2-[2-[[5-[[(4-nitrophenyl)carbonylamino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[5-[[(4-nitrophenyl)carbonylamino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-[[[(4-nitrophenyl)-oxomethyl]amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C29H25F3N6O6S2 MolecularWeight: 674.67061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H25F3N6O6S2/c1-2-44-27(41)24-20-7-4-8-21(20)46-26(24)34-23(39)15-45-28-36-35-22(37(28)19-6-3-5-17(13-19)29(30,31)32)14-33-25(40)16-9-11-18(12-10-16)38(42)43/h3,5-6,9-13H,2,4,7-8,14-15H2,1H3,(H,33,40)(H,34,39)