diethyl 3-methyl-5-(pyrazin-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(pyrazin-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(pyrazin-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(2-pyrazinylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(pyrazin-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(pyrazin-2-ylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H18N4O4S2 MolecularWeight: 394.46852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC=CN=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC=CN=C2

InChI

InChI=1S/C16H18N4O4S2/c1-4-23-14(21)11-9(3)12(15(22)24-5-2)26-13(11)20-16(25)19-10-8-17-6-7-18-10/h6-8H,4-5H2,1-3H3,(H2,18,19,20,25)