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

Systemtic Name: methyl 2-(cyclododecylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cyclododecylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclododecylamino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclododecylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(cyclododecylthiocarbamoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H36N2O2S2 MolecularWeight: 424.66344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCCCCCCCCCC2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCCCCCCCCCC2)C

InChI

InChI=1S/C22H36N2O2S2/c1-4-18-16(2)28-20(19(18)21(25)26-3)24-22(27)23-17-14-12-10-8-6-5-7-9-11-13-15-17/h17H,4-15H2,1-3H3,(H2,23,24,27)