[(2R,3S,6R)-2-methyl-6-(8-oxidanyldodecyl)piperidin-3-yl] (E)-3-methylsulfanylprop-2-enoate

Systemtic Name: [(2R,3S,6R)-2-methyl-6-(8-oxidanyldodecyl)piperidin-3-yl] (E)-3-methylsulfanylprop-2-enoate Openeye Name: [(2R,3S,6R)-6-(8-hydroxydodecyl)-2-methyl-3-piperidyl] (E)-3-methylsulfanylprop-2-enoate CAS Name: (E)-3-(methylthio)-2-propenoic acid [(2R,3S,6R)-6-(8-hydroxydodecyl)-2-methyl-3-piperidinyl] ester IUPAC Name: [(2R,3S,6R)-6-(8-hydroxydodecyl)-2-methylpiperidin-3-yl] (E)-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-(methylthio)acrylic acid [(2R,3S,6R)-6-(8-hydroxydodecyl)-2-methyl-3-piperidyl] ester Formula: C22H41NO3S MolecularWeight: 399.63084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCC1CCC(C(N1)C)OC(=O)C=CSC)O

Isomeric SMILES

CCCCC(CCCCCCC[C@@H]1CC[C@@H]([C@H](N1)C)OC(=O)/C=C/SC)O

InChI

InChI=1S/C22H41NO3S/c1-4-5-12-20(24)13-10-8-6-7-9-11-19-14-15-21(18(2)23-19)26-22(25)16-17-27-3/h16-21,23-24H,4-15H2,1-3H3/b17-16+/t18-,19-,20?,21+/m1/s1