methyl 1-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(5-chloro-2-thiophenyl)-4-quinolinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]isonipecotic acid methyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-27-21(26)13-8-10-24(11-9-13)20(25)15-12-17(18-6-7-19(22)28-18)23-16-5-3-2-4-14(15)16/h2-7,12-13H,8-11H2,1H3