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

Systemtic Name: dimethyl 5-(dodecylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(dodecylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(dodecylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(dodecylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(laurylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H36N2O4S2 MolecularWeight: 456.66224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O4S2/c1-5-6-7-8-9-10-11-12-13-14-15-23-22(29)24-19-17(20(25)27-3)16(2)18(30-19)21(26)28-4/h5-15H2,1-4H3,(H2,23,24,29)