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

Systemtic Name: ethyl 1-[(1-ethyl-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(1-ethyl-2-hydroxy-6-methyl-4-oxo-3-pyridyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(1-ethyl-2-hydroxy-6-methyl-4-oxo-3-pyridinyl)-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-ethyl-2-hydroxy-6-methyl-4-oxopyridin-3-yl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(1-ethyl-2-hydroxy-4-keto-6-methyl-3-pyridyl)-[4-(methylthio)phenyl]methyl]isonipecotic acid ethyl ester Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)C(=C1O)C(C2=CC=C(C=C2)SC)N3CCC(CC3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=CC(=O)C(=C1O)C(C2=CC=C(C=C2)SC)N3CCC(CC3)C(=O)OCC)C

InChI

InChI=1S/C24H32N2O4S/c1-5-26-16(3)15-20(27)21(23(26)28)22(17-7-9-19(31-4)10-8-17)25-13-11-18(12-14-25)24(29)30-6-2/h7-10,15,18,22,28H,5-6,11-14H2,1-4H3