diethyl 3-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C15H18N4O5S2 MolecularWeight: 398.45722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=NN2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=NN2

InChI

InChI=1S/C15H18N4O5S2/c1-4-23-13(21)10-8(3)11(14(22)24-5-2)26-12(10)18-9(20)6-25-15-16-7-17-19-15/h7H,4-6H2,1-3H3,(H,18,20)(H,16,17,19)