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

Systemtic Name: [3-(6-methoxyquinolin-4-yl)-3-oxidanylidene-propyl] 1-(2-pyridin-2-ylsulfanylethyl)piperidine-3-carboxylate Openeye Name: [3-(6-methoxy-4-quinolyl)-3-oxo-propyl] 1-[2-(2-pyridylsulfanyl)ethyl]piperidine-3-carboxylate CAS Name: 1-[2-(2-pyridinylthio)ethyl]-3-piperidinecarboxylic acid [3-(6-methoxy-4-quinolinyl)-3-oxopropyl] ester IUPAC Name: [3-(6-methoxyquinolin-4-yl)-3-oxopropyl] 1-(2-pyridin-2-ylsulfanylethyl)piperidine-3-carboxylate Traditional Name: 1-[2-(2-pyridylthio)ethyl]nipecotic acid [3-keto-3-(6-methoxy-4-quinolyl)propyl] ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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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=CC=N4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCOC(=O)C3CCCN(C3)CCSC4=CC=CC=N4

InChI

InChI=1S/C26H29N3O4S/c1-32-20-7-8-23-22(17-20)21(9-12-27-23)24(30)10-15-33-26(31)19-5-4-13-29(18-19)14-16-34-25-6-2-3-11-28-25/h2-3,6-9,11-12,17,19H,4-5,10,13-16,18H2,1H3