methyl 2-[1-(2-propan-2-ylsulfanylethanoyl)piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-(2-propan-2-ylsulfanylethanoyl)piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-(2-isopropylsulfanylacetyl)-4-piperidyl]acetate CAS Name: 2-[1-[1-oxo-2-(propan-2-ylthio)ethyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-propan-2-ylsulfanylacetyl)piperidin-4-yl]acetate Traditional Name: 2-[1-[2-(isopropylthio)acetyl]-4-piperidyl]acetic acid methyl ester Formula: C13H23NO3S MolecularWeight: 273.39162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)N1CCC(CC1)CC(=O)OC

Isomeric SMILES

CC(C)SCC(=O)N1CCC(CC1)CC(=O)OC

InChI

InChI=1S/C13H23NO3S/c1-10(2)18-9-12(15)14-6-4-11(5-7-14)8-13(16)17-3/h10-11H,4-9H2,1-3H3