ethyl 1-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(2-methyl-4-thiazolyl)methylthio]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(2-methylthiazol-4-yl)methylthio]benzoyl]isonipecotic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

InChI

InChI=1S/C20H24N2O3S2/c1-3-25-20(24)16-8-10-22(11-9-16)19(23)15-4-6-18(7-5-15)27-13-17-12-26-14(2)21-17/h4-7,12,16H,3,8-11,13H2,1-2H3