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

Systemtic Name: dimethyl 3-methyl-5-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=NN2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=NN2)C(=O)OC

InChI

InChI=1S/C14H16N4O4S2/c1-7-9(12(19)21-2)11(24-10(7)13(20)22-3)17-14(23)15-6-8-4-5-16-18-8/h4-5H,6H2,1-3H3,(H,16,18)(H2,15,17,23)