[3-(6-methoxyquinolin-4-yl)-3-oxidanylidene-propyl] 1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylate

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanylidene-propyl] 1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylate Openeye Name: [3-(6-methoxy-4-quinolyl)-3-oxo-propyl] 1-[2-(2-thienylsulfanyl)ethyl]piperidine-3-carboxylate CAS Name: 1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinecarboxylic acid [3-(6-methoxy-4-quinolinyl)-3-oxopropyl] ester IUPAC Name: [3-(6-methoxyquinolin-4-yl)-3-oxopropyl] 1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylate Traditional Name: 1-[2-(2-thienylthio)ethyl]nipecotic acid [3-keto-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCOC(=O)C3CCCN(C3)CCSC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCOC(=O)C3CCCN(C3)CCSC4=CC=CS4

InChI

InChI=1S/C25H28N2O4S2/c1-30-19-6-7-22-21(16-19)20(8-10-26-22)23(28)9-13-31-25(29)18-4-2-11-27(17-18)12-15-33-24-5-3-14-32-24/h3,5-8,10,14,16,18H,2,4,9,11-13,15,17H2,1H3