ethyl 4-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(5-chloro-2-thiophenyl)-4-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-2-28-21(27)25-11-9-24(10-12-25)20(26)15-13-17(18-7-8-19(22)29-18)23-16-6-4-3-5-14(15)16/h3-8,13H,2,9-12H2,1H3