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

Systemtic Name: diethyl 5-(cyclododecylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(cyclododecylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(cyclododecylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(cyclododecylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H38N2O4S2 MolecularWeight: 482.69952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCCCCCCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCCCCCCCCCC2

InChI

InChI=1S/C24H38N2O4S2/c1-4-29-22(27)19-17(3)20(23(28)30-5-2)32-21(19)26-24(31)25-18-15-13-11-9-7-6-8-10-12-14-16-18/h18H,4-16H2,1-3H3,(H2,25,26,31)