diethyl 5-[2-[[4-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-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: C32H34N6O8S2 MolecularWeight: 694.77776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)C)C)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(N2C3=C(C=CC(=C3)C)C)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C32H34N6O8S2/c1-7-45-30(41)26-20(6)27(31(42)46-8-2)48-29(26)34-25(39)16-47-32-36-35-24(37(32)22-13-17(3)9-10-18(22)4)15-33-28(40)21-12-11-19(5)23(14-21)38(43)44/h9-14H,7-8,15-16H2,1-6H3,(H,33,40)(H,34,39)