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

Systemtic Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-(pivaloylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S2/c1-6-26-17(23)15-14(12-7-9-13(25-5)10-8-12)11-28-16(15)21-19(27)22-18(24)20(2,3)4/h7-11H,6H2,1-5H3,(H2,21,22,24,27)