3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl 1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]piperidine-4-carboxylate

Systemtic Name: 3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl 1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]piperidine-4-carboxylate Openeye Name: 3-(3-fluoro-6-methoxy-4-quinolyl)propyl 1-(2-thiazol-2-ylsulfanylethyl)piperidine-4-carboxylate CAS Name: 1-[2-(2-thiazolylthio)ethyl]-4-piperidinecarboxylic acid 3-(3-fluoro-6-methoxy-4-quinolinyl)propyl ester IUPAC Name: 3-(3-fluoro-6-methoxyquinolin-4-yl)propyl 1-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(thiazol-2-ylthio)ethyl]isonipecotic acid 3-(3-fluoro-6-methoxy-4-quinolyl)propyl ester Formula: C24H28FN3O3S2 MolecularWeight: 489.625823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCOC(=O)C3CCN(CC3)CCSC4=NC=CS4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCOC(=O)C3CCN(CC3)CCSC4=NC=CS4

InChI

InChI=1S/C24H28FN3O3S2/c1-30-18-4-5-22-20(15-18)19(21(25)16-27-22)3-2-12-31-23(29)17-6-9-28(10-7-17)11-14-33-24-26-8-13-32-24/h4-5,8,13,15-17H,2-3,6-7,9-12,14H2,1H3