ethyl 4-(6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(6-fluoranyl-2-thiophen-2-yl-quinolin-4-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-fluoro-2-(2-thienyl)quinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[(6-fluoro-2-thiophen-2-yl-4-quinolinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-fluoro-2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[6-fluoro-2-(2-thienyl)quinoline-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C21H20FN3O3S/c1-2-28-21(27)25-9-7-24(8-10-25)20(26)16-13-18(19-4-3-11-29-19)23-17-6-5-14(22)12-15(16)17/h3-6,11-13H,2,7-10H2,1H3