ethyl 1-[[1-(furan-2-ylmethyl)-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[1-(furan-2-ylmethyl)-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[1-(2-furylmethyl)-2-hydroxy-6-methyl-4-oxo-3-pyridyl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[[1-(2-furanylmethyl)-2-hydroxy-6-methyl-4-oxo-3-pyridinyl]-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(furan-2-ylmethyl)-2-hydroxy-6-methyl-4-oxopyridin-3-yl]-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[[1-(2-furfuryl)-2-hydroxy-4-keto-6-methyl-3-pyridyl]-[4-(methylthio)phenyl]methyl]isonipecotic acid ethyl ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(N(C(=CC3=O)C)CC4=CC=CO4)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)SC)C3=C(N(C(=CC3=O)C)CC4=CC=CO4)O

InChI

InChI=1S/C27H32N2O5S/c1-4-33-27(32)20-11-13-28(14-12-20)25(19-7-9-22(35-3)10-8-19)24-23(30)16-18(2)29(26(24)31)17-21-6-5-15-34-21/h5-10,15-16,20,25,31H,4,11-14,17H2,1-3H3