ethyl 3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]propanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]propanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[2-[4-(2-furoyl)piperazino]propanoylamino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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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)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C(C)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O5S/c1-3-32-25(31)22-19(16-21(34-22)18-8-5-4-6-9-18)26-23(29)17(2)27-11-13-28(14-12-27)24(30)20-10-7-15-33-20/h4-10,15-17H,3,11-14H2,1-2H3,(H,26,29)