dimethyl 3-methyl-5-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(1-methyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1-methylpyrazol-3-yl)thiocarbamoylamino]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)NC2=NN(C=C2)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)C)C(=O)OC

InChI

InChI=1S/C14H16N4O4S2/c1-7-9(12(19)21-3)11(24-10(7)13(20)22-4)16-14(23)15-8-5-6-18(2)17-8/h5-6H,1-4H3,(H2,15,16,17,23)