[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl] 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid [2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid [2-keto-2-[(3R)-3-methylpiperidino]ethyl] ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CS3)C

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CS3)C

InChI

InChI=1S/C20H24N2O3S2/c1-14-6-5-9-22(10-14)18(23)11-25-19(24)17-8-4-3-7-16(17)13-27-20-21-15(2)12-26-20/h3-4,7-8,12,14H,5-6,9-11,13H2,1-2H3/t14-/m1/s1