2-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid

Systemtic Name: 2-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 2-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 2-[3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 2-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 2-[3-hydroxy-3-(6-methoxy-4-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=CN=C2C=C1)C(CCC3C(CCCN3CCSC4=CC=CS4)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CCC3C(CCCN3CCSC4=CC=CS4)C(=O)O)O

InChI

InChI=1S/C25H30N2O4S2/c1-31-17-6-7-21-20(16-17)18(10-11-26-21)23(28)9-8-22-19(25(29)30)4-2-12-27(22)13-15-33-24-5-3-14-32-24/h3,5-7,10-11,14,16,19,22-23,28H,2,4,8-9,12-13,15H2,1H3,(H,29,30)