ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(pivaloylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C20H24N2O3S2/c1-6-25-17(23)15-14(13-10-8-7-9-11-13)12(2)27-16(15)21-19(26)22-18(24)20(3,4)5/h7-11H,6H2,1-5H3,(H2,21,22,24,26)