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

Systemtic Name: dimethyl 5-[(4,6-dimethylpyrimidin-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)C

InChI

InChI=1S/C16H18N4O4S2/c1-7-6-8(2)18-15(17-7)20-16(25)19-12-10(13(21)23-4)9(3)11(26-12)14(22)24-5/h6H,1-5H3,(H2,17,18,19,20,25)