O3-ethyl O1-methyl 5-(ethoxycarbonylcarbamothioylamino)pyrazole-1,3-dicarboxylate

Systemtic Name: O3-ethyl O1-methyl 5-(ethoxycarbonylcarbamothioylamino)pyrazole-1,3-dicarboxylate Openeye Name: O3-ethyl O1-methyl 5-(ethoxycarbonylcarbamothioylamino)pyrazole-1,3-dicarboxylate CAS Name: 5-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]pyrazole-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester IUPAC Name: 3-O-ethyl 1-O-methyl 5-(ethoxycarbonylcarbamothioylamino)pyrazole-1,3-dicarboxylate Traditional Name: 5-(carbethoxythiocarbamoylamino)pyrazole-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester Formula: C12H16N4O6S MolecularWeight: 344.34364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)NC(=S)NC(=O)OCC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)NC(=S)NC(=O)OCC)C(=O)OC

InChI

InChI=1S/C12H16N4O6S/c1-4-21-9(17)7-6-8(16(15-7)12(19)20-3)13-10(23)14-11(18)22-5-2/h6H,4-5H2,1-3H3,(H2,13,14,18,23)