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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=CC=CC=C2CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H27N3O3S/c1-15-12-16(2)24-22(23-15)29-14-18-9-4-5-10-19(18)21(27)28-13-20(26)25-11-7-6-8-17(25)3/h4-5,9-10,12,17H,6-8,11,13-14H2,1-3H3/t17-/m0/s1