ethyl 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinoyl]isonipecotic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

InChI

InChI=1S/C20H25N3O4S/c1-4-26-20(25)15-7-10-23(11-8-15)19(24)16-6-5-9-21-18(16)28-12-17-13(2)22-27-14(17)3/h5-6,9,15H,4,7-8,10-12H2,1-3H3