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

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-(4-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-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-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-(4-methylpiperidino)ethyl] ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CC(=N3)C)C

InChI

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