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

Systemtic Name: diethyl 3-methyl-5-(2-methylpropanoylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(2-methylpropanoylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(2-methylpropanoylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isobutyrylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S2/c1-6-22-14(20)10-9(5)11(15(21)23-7-2)25-13(10)18-16(24)17-12(19)8(3)4/h8H,6-7H2,1-5H3,(H2,17,18,19,24)