ethyl 5-phenyl-2-[2-[2-(pyrimidin-2-ylamino)ethanoyloxy]propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[2-[2-(pyrimidin-2-ylamino)ethanoyloxy]propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[2-[2-(pyrimidin-2-ylamino)acetyl]oxypropanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[1-oxo-2-(2-pyrimidinylamino)ethoxy]propyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[2-[2-(pyrimidin-2-ylamino)acetyl]oxypropanoylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[2-[2-(2-pyrimidylamino)acetyl]oxypropanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CNC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CNC3=NC=CC=N3

InChI

InChI=1S/C22H22N4O5S/c1-3-30-21(29)16-12-17(15-8-5-4-6-9-15)32-20(16)26-19(28)14(2)31-18(27)13-25-22-23-10-7-11-24-22/h4-12,14H,3,13H2,1-2H3,(H,26,28)(H,23,24,25)