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

Systemtic Name: ethyl 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[(4-methyl-2-thiazolyl)thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[(4-methylthiazol-2-yl)thio]methyl]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)CSC3=NC(=CS3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CS3)C

InChI

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