O3-ethyl O1-methyl 5-(furan-2-ylcarbonylcarbamothioylamino)pyrazole-1,3-dicarboxylate

Systemtic Name: O3-ethyl O1-methyl 5-(furan-2-ylcarbonylcarbamothioylamino)pyrazole-1,3-dicarboxylate Openeye Name: O3-ethyl O1-methyl 5-(furan-2-carbonylcarbamothioylamino)pyrazole-1,3-dicarboxylate CAS Name: 5-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]pyrazole-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester IUPAC Name: 3-O-ethyl 1-O-methyl 5-(furan-2-carbonylcarbamothioylamino)pyrazole-1,3-dicarboxylate Traditional Name: 5-(2-furoylthiocarbamoylamino)pyrazole-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester Formula: C14H14N4O6S MolecularWeight: 366.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)NC(=S)NC(=O)C2=CC=CO2)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)NC(=S)NC(=O)C2=CC=CO2)C(=O)OC

InChI

InChI=1S/C14H14N4O6S/c1-3-23-12(20)8-7-10(18(17-8)14(21)22-2)15-13(25)16-11(19)9-5-4-6-24-9/h4-7H,3H2,1-2H3,(H2,15,16,19,25)