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

Systemtic Name: diethyl 3-methyl-5-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC=CC(=N2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC=CC(=N2)C

InChI

InChI=1S/C17H20N4O4S2/c1-5-24-14(22)11-10(4)12(15(23)25-6-2)27-13(11)20-17(26)21-16-18-8-7-9(3)19-16/h7-8H,5-6H2,1-4H3,(H2,18,19,20,21,26)