ethyl 2-[2-(3-cyanophenyl)carbonyloxyethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-cyanophenyl)carbonyloxyethanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-cyanobenzoyl)oxyacetyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyanophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyanobenzoyl)oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(3-cyanobenzoyl)oxyacetyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H22N2O5S/c1-4-27-21(26)18-16(8-13(2)3)12-29-19(18)23-17(24)11-28-20(25)15-7-5-6-14(9-15)10-22/h5-7,9,12-13H,4,8,11H2,1-3H3,(H,23,24)