ethyl 1-[3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanyl-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanyl-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanyl-butanoyl]piperidine-4-carboxylate CAS Name: 1-[3-methyl-1-oxo-3-[(2,4,6-trimethoxyphenyl)thio]butyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-methyl-3-[(2,4,6-trimethoxyphenyl)thio]butanoyl]isonipecotic acid ethyl ester Formula: C22H33NO6S MolecularWeight: 439.56552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CC(C)(C)SC2=C(C=C(C=C2OC)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CC(C)(C)SC2=C(C=C(C=C2OC)OC)OC

InChI

InChI=1S/C22H33NO6S/c1-7-29-21(25)15-8-10-23(11-9-15)19(24)14-22(2,3)30-20-17(27-5)12-16(26-4)13-18(20)28-6/h12-13,15H,7-11,14H2,1-6H3