diethyl 5-[2-[[4-cyclohexyl-5-[[(4-methyl-3-nitro-phenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[[4-cyclohexyl-5-[[(4-methyl-3-nitro-phenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[[4-cyclohexyl-5-[[(4-methyl-3-nitro-benzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-cyclohexyl-5-[[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[[4-cyclohexyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[4-cyclohexyl-5-[[(4-methyl-3-nitro-benzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C30H36N6O8S2 MolecularWeight: 672.77224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3CCCCC3)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3CCCCC3)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C30H36N6O8S2/c1-5-43-28(39)24-18(4)25(29(40)44-6-2)46-27(24)32-23(37)16-45-30-34-33-22(35(30)20-10-8-7-9-11-20)15-31-26(38)19-13-12-17(3)21(14-19)36(41)42/h12-14,20H,5-11,15-16H2,1-4H3,(H,31,38)(H,32,37)