diethyl 3-methyl-5-[2-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[(5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(5-oxo-2H-1,2,4-triazin-3-yl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[(5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(5-keto-2H-1,2,4-triazin-3-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H18N4O6S2 MolecularWeight: 426.46732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O6S2/c1-4-25-14(23)11-8(3)12(15(24)26-5-2)28-13(11)18-10(22)7-27-16-19-9(21)6-17-20-16/h6H,4-5,7H2,1-3H3,(H,18,22)(H,19,20,21)