ethyl 2-[2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-[4-(2-cyano-3-fluoro-phenyl)piperazino]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H27FN4O3S MolecularWeight: 458.548883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C23H27FN4O3S/c1-5-31-23(30)20-14(2)16(4)32-22(20)26-21(29)15(3)27-9-11-28(12-10-27)19-8-6-7-18(24)17(19)13-25/h6-8,15H,5,9-12H2,1-4H3,(H,26,29)