methyl 1-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(2,3,5,6-tetramethylphenyl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2,3,5,6-tetramethylphenyl)thio]acetyl]isonipecotic acid methyl ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)N2CCC(CC2)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)N2CCC(CC2)C(=O)OC)C)C

InChI

InChI=1S/C19H27NO3S/c1-12-10-13(2)15(4)18(14(12)3)24-11-17(21)20-8-6-16(7-9-20)19(22)23-5/h10,16H,6-9,11H2,1-5H3