ethyl 1-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carbonyl]nipecotic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NOC(=C2)COC3=CC=CC=C3SC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NOC(=C2)COC3=CC=CC=C3SC

InChI

InChI=1S/C20H24N2O5S/c1-3-25-20(24)14-7-6-10-22(12-14)19(23)16-11-15(27-21-16)13-26-17-8-4-5-9-18(17)28-2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3