methyl 5-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-[(2-ethoxy-2-oxo-ethyl)carbamothioylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[[(2-ethoxy-2-oxoethyl)amino]-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2-ethoxy-2-oxoethyl)carbamothioylamino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(2-ethoxy-2-keto-ethyl)thiocarbamoylamino]-1H-pyrazole-4-carboxylic acid methyl ester Formula: C10H14N4O4S MolecularWeight: 286.30756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NC1=C(C=NN1)C(=O)OC

Isomeric SMILES

CCOC(=O)CNC(=S)NC1=C(C=NN1)C(=O)OC

InChI

InChI=1S/C10H14N4O4S/c1-3-18-7(15)5-11-10(19)13-8-6(4-12-14-8)9(16)17-2/h4H,3,5H2,1-2H3,(H3,11,12,13,14,19)