ethyl 4-methyl-2-(3-methylbutanoylcarbamothioylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-(3-methylbutanoylcarbamothioylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-(3-methylbutanoylcarbamothioylamino)thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(3-methylbutanoylcarbamothioylamino)-1,3-thiazole-5-carboxylate Traditional Name: 2-(isovalerylthiocarbamoylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C13H19N3O3S2 MolecularWeight: 329.43826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)CC(C)C)C

InChI

InChI=1S/C13H19N3O3S2/c1-5-19-11(18)10-8(4)14-13(21-10)16-12(20)15-9(17)6-7(2)3/h7H,5-6H2,1-4H3,(H2,14,15,16,17,20)