ethyl 2-[2-(4-cyanophenyl)carbonyloxyethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-cyanophenyl)carbonyloxyethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-cyanobenzoyl)oxyacetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-cyanophenyl)-oxomethoxy]-1-oxoethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-cyanobenzoyl)oxyacetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-cyanobenzoyl)oxyacetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21N3O6S/c1-5-29-21(28)16-12(2)17(19(26)24(3)4)31-18(16)23-15(25)11-30-20(27)14-8-6-13(10-22)7-9-14/h6-9H,5,11H2,1-4H3,(H,23,25)