methyl 4-ethyl-5-methyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[sulfanylidene-(undecylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(undecylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H36N2O2S2 MolecularWeight: 412.65274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O2S2/c1-5-7-8-9-10-11-12-13-14-15-22-21(26)23-19-18(20(24)25-4)17(6-2)16(3)27-19/h5-15H2,1-4H3,(H2,22,23,26)