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

Systemtic Name: dimethyl 3-methyl-5-(undecylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(undecylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-(undecylamino)methyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(undecylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(undecylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H34N2O4S2 MolecularWeight: 442.63566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4S2/c1-5-6-7-8-9-10-11-12-13-14-22-21(28)23-18-16(19(24)26-3)15(2)17(29-18)20(25)27-4/h5-14H2,1-4H3,(H2,22,23,28)