ethyl 4,5-dimethyl-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(2-methylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isobutyrylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C(C)C

InChI

InChI=1S/C14H20N2O3S2/c1-6-19-13(18)10-8(4)9(5)21-12(10)16-14(20)15-11(17)7(2)3/h7H,6H2,1-5H3,(H2,15,16,17,20)