methyl 4-ethyl-5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[(1-methyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(1-methylpyrazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)C)C

InChI

InChI=1S/C14H18N4O2S2/c1-5-9-8(2)22-12(11(9)13(19)20-4)16-14(21)15-10-6-7-18(3)17-10/h6-7H,5H2,1-4H3,(H2,15,16,17,21)