ethyl 4,5-dimethyl-2-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-isopropylphenoxy)acetyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-isopropylphenoxy)acetyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)COC2=CC=CC=C2C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)COC2=CC=CC=C2C(C)C

InChI

InChI=1S/C21H26N2O4S2/c1-6-26-20(25)18-13(4)14(5)29-19(18)23-21(28)22-17(24)11-27-16-10-8-7-9-15(16)12(2)3/h7-10,12H,6,11H2,1-5H3,(H2,22,23,24,28)