ethyl 1-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]isonipecotic acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CN3CCC(CC3)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CN3CCC(CC3)C(=O)OCC)OC

InChI

InChI=1S/C21H28N2O4S/c1-4-26-18-7-6-16(12-19(18)25-3)20-22-17(14-28-20)13-23-10-8-15(9-11-23)21(24)27-5-2/h6-7,12,14-15H,4-5,8-11,13H2,1-3H3