ethyl 4-(3,4-dimethylphenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-(pivaloylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-7-26-18(24)16-15(14-9-8-12(2)13(3)10-14)11-28-17(16)22-20(27)23-19(25)21(4,5)6/h8-11H,7H2,1-6H3,(H2,22,23,25,27)