diethyl 3-methyl-5-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(1-methyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1-methylpyrazol-3-yl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NN(C=C2)C

InChI

InChI=1S/C16H20N4O4S2/c1-5-23-14(21)11-9(3)12(15(22)24-6-2)26-13(11)18-16(25)17-10-7-8-20(4)19-10/h7-8H,5-6H2,1-4H3,(H2,17,18,19,25)