4-[3-(3-methoxyquinolin-5-yl)-3-oxidanyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[3-(3-methoxyquinolin-5-yl)-3-oxidanyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[3-hydroxy-3-(3-methoxy-5-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 4-[3-hydroxy-3-(3-methoxy-5-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-hydroxy-3-(3-methoxyquinolin-5-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[3-hydroxy-3-(3-methoxy-5-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]nipecotic acid Formula: C25H30N2O4S2 MolecularWeight: 486.6467

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CC=C2N=C1)C(CCC3CCN(CC3C(=O)O)CCSC4=CC=CS4)O

Isomeric SMILES

COC1=CC2=C(C=CC=C2N=C1)C(CCC3CCN(CC3C(=O)O)CCSC4=CC=CS4)O

InChI

InChI=1S/C25H30N2O4S2/c1-31-18-14-20-19(4-2-5-22(20)26-15-18)23(28)8-7-17-9-10-27(16-21(17)25(29)30)11-13-33-24-6-3-12-32-24/h2-6,12,14-15,17,21,23,28H,7-11,13,16H2,1H3,(H,29,30)