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

Systemtic Name: ethyl 4-methyl-2-(thiophen-2-ylcarbonylcarbamothioylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-(thiophene-2-carbonylcarbamothioylamino)thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(thiophene-2-carbonylcarbamothioylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-thenoylthiocarbamoylamino)thiazole-5-carboxylic acid ethyl ester Formula: C13H13N3O3S3 MolecularWeight: 355.45562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CS2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CS2)C

InChI

InChI=1S/C13H13N3O3S3/c1-3-19-11(18)9-7(2)14-13(22-9)16-12(20)15-10(17)8-5-4-6-21-8/h4-6H,3H2,1-2H3,(H2,14,15,16,17,20)