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

Systemtic Name: diethyl 5-[2-[[5-[[(2,4-dichlorophenyl)carbonylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-[[5-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[5-[[[(2,4-dichlorophenyl)-oxomethyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[[5-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[[5-[[(2,4-dichlorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H27Cl2N5O6S2 MolecularWeight: 628.54778

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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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C)CNC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H27Cl2N5O6S2/c1-6-37-23(35)18-12(3)19(24(36)38-7-2)40-22(18)29-20(33)13(4)39-25-31-30-17(32(25)5)11-28-21(34)15-9-8-14(26)10-16(15)27/h8-10,13H,6-7,11H2,1-5H3,(H,28,34)(H,29,33)