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

Systemtic Name: dimethyl 3-methyl-5-[(4-methylpyrimidin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H16N4O4S2 MolecularWeight: 380.44194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C15H16N4O4S2/c1-7-5-6-16-14(17-7)19-15(24)18-11-9(12(20)22-3)8(2)10(25-11)13(21)23-4/h5-6H,1-4H3,(H2,16,17,18,19,24)