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

Systemtic Name: ethyl 2-[2-[[4-butyl-5-[[(4-nitrophenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-butyl-5-[[[(4-nitrophenyl)-oxomethyl]amino]methyl]-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-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-butyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C26H30N6O6S2 MolecularWeight: 586.683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N6O6S2/c1-3-5-13-31-20(14-27-23(34)16-9-11-17(12-10-16)32(36)37)29-30-26(31)39-15-21(33)28-24-22(25(35)38-4-2)18-7-6-8-19(18)40-24/h9-12H,3-8,13-15H2,1-2H3,(H,27,34)(H,28,33)