diethyl 3-methyl-5-[2-[[4-methyl-5-[[(4-nitrophenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[[4-methyl-5-[[(4-nitrophenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[2-[[4-methyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[[4-methyl-5-[[[(4-nitrophenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[2-[[4-methyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[2-[[4-methyl-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H28N6O8S2 MolecularWeight: 604.65522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O8S2/c1-6-38-23(34)18-13(3)19(24(35)39-7-2)41-22(18)27-20(32)14(4)40-25-29-28-17(30(25)5)12-26-21(33)15-8-10-16(11-9-15)31(36)37/h8-11,14H,6-7,12H2,1-5H3,(H,26,33)(H,27,32)