[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O3S/c1-16-12-17(2)24-22(23-16)29-15-21(27)28-14-20(26)25-10-8-19(9-11-25)13-18-6-4-3-5-7-18/h3-7,12,19H,8-11,13-15H2,1-2H3