[3-(trifluoromethyl)phenyl]methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[(2-ethyl-1-oxobutyl)amino]-3-methyl-2-thiophenecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C21H21F3N2O3S MolecularWeight: 438.46325

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC(=CC=C2)C(F)(F)F)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC(=CC=C2)C(F)(F)F)C)C#N

InChI

InChI=1S/C21H21F3N2O3S/c1-4-14(5-2)18(27)26-19-16(10-25)12(3)17(30-19)20(28)29-11-13-7-6-8-15(9-13)21(22,23)24/h6-9,14H,4-5,11H2,1-3H3,(H,26,27)