[2-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl] hydrogen carbonate

Systemtic Name: [2-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl] hydrogen carbonate Openeye Name: [2-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylsulfanyl)ethyl]-3-piperidyl] hydrogen carbonate CAS Name: carbonic acid [2-[3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinyl] ester IUPAC Name: [2-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-1-[2-(2-thienylthio)ethyl]-3-piperidyl] ester Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S2/c1-31-17-6-7-20-19(16-17)18(10-11-26-20)22(28)9-8-21-23(32-25(29)30)4-2-12-27(21)13-15-34-24-5-3-14-33-24/h3,5-7,10-11,14,16,21-23,28H,2,4,8-9,12-13,15H2,1H3,(H,29,30)