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

Systemtic Name: diethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)amino]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(N(N=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(N(N=C2C)C)C

InChI

InChI=1S/C18H24N4O4S2/c1-7-25-16(23)12-9(3)14(17(24)26-8-2)28-15(12)20-18(27)19-13-10(4)21-22(6)11(13)5/h7-8H2,1-6H3,(H2,19,20,27)