ethyl 5-phenyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-phenyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[2-[4-(2-pyrimidyl)piperazino]propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C(C)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C(C)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H27N5O3S/c1-3-32-23(31)21-19(16-20(33-21)18-8-5-4-6-9-18)27-22(30)17(2)28-12-14-29(15-13-28)24-25-10-7-11-26-24/h4-11,16-17H,3,12-15H2,1-2H3,(H,27,30)