diethyl 3-methyl-5-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(1H-pyrazol-5-ylmethylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1H-pyrazol-5-ylmethylthiocarbamoylamino)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)NCC2=CC=NN2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CC=NN2

InChI

InChI=1S/C16H20N4O4S2/c1-4-23-14(21)11-9(3)12(15(22)24-5-2)26-13(11)19-16(25)17-8-10-6-7-18-20-10/h6-7H,4-5,8H2,1-3H3,(H,18,20)(H2,17,19,25)