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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)N3CCCCC3)C

InChI

InChI=1S/C21H25N3O3S/c1-15-12-16(2)23-21(22-15)28-14-17-8-4-5-9-18(17)20(26)27-13-19(25)24-10-6-3-7-11-24/h4-5,8-9,12H,3,6-7,10-11,13-14H2,1-2H3