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

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3CCN(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C20H26N2O6S2/c1-4-27-17-6-5-15(11-18(17)26-2)19-21-16(13-29-19)12-28-20(23)14-7-9-22(10-8-14)30(3,24)25/h5-6,11,13-14H,4,7-10,12H2,1-3H3