[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid [2-keto-2-[(3R)-3-methylpiperidino]ethyl] ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H27N3O3S/c1-15-7-6-10-25(12-15)20(26)13-28-21(27)19-9-5-4-8-18(19)14-29-22-23-16(2)11-17(3)24-22/h4-5,8-9,11,15H,6-7,10,12-14H2,1-3H3/t15-/m1/s1