diethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S2/c1-6-25-15(23)12-11(5)13(16(24)26-7-2)28-14(12)21-18(27)22-17-19-9(3)8-10(4)20-17/h8H,6-7H2,1-5H3,(H2,19,20,21,22,27)