ethyl 5-(4-fluorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-3-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-3-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-3-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)-3-[[2-(4-phenylpiperazino)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C25H26FN3O3S MolecularWeight: 467.555643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H26FN3O3S/c1-2-32-25(31)24-21(16-22(33-24)18-8-10-19(26)11-9-18)27-23(30)17-28-12-14-29(15-13-28)20-6-4-3-5-7-20/h3-11,16H,2,12-15,17H2,1H3,(H,27,30)