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

Systemtic Name: diethyl 5-(dodecylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(dodecylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(dodecylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(dodecylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(laurylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H40N2O4S2 MolecularWeight: 484.7154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C24H40N2O4S2/c1-5-8-9-10-11-12-13-14-15-16-17-25-24(31)26-21-19(22(27)29-6-2)18(4)20(32-21)23(28)30-7-3/h5-17H2,1-4H3,(H2,25,26,31)