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

Systemtic Name: dimethyl 5-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(3-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(3-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H17N5O5S2 MolecularWeight: 411.45598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2C(=O)N)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2C(=O)N)C)C(=O)OC

InChI

InChI=1S/C15H17N5O5S2/c1-6-8(13(22)24-3)12(27-10(6)14(23)25-4)18-15(26)17-7-5-20(2)19-9(7)11(16)21/h5H,1-4H3,(H2,16,21)(H2,17,18,26)