[2-(phenylmethylsulfanyl)cyclohexyl] 3-(dimethylamino)propanoate

Systemtic Name: [2-(phenylmethylsulfanyl)cyclohexyl] 3-(dimethylamino)propanoate Openeye Name: (2-benzylsulfanylcyclohexyl) 3-(dimethylamino)propanoate CAS Name: 3-(dimethylamino)propanoic acid [2-(phenylmethylthio)cyclohexyl] ester IUPAC Name: (2-benzylsulfanylcyclohexyl) 3-(dimethylamino)propanoate Traditional Name: 3-(dimethylamino)propionic acid [2-(benzylthio)cyclohexyl] ester Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)OC1CCCCC1SCC2=CC=CC=C2

Isomeric SMILES

CN(C)CCC(=O)OC1CCCCC1SCC2=CC=CC=C2

InChI

InChI=1S/C18H27NO2S/c1-19(2)13-12-18(20)21-16-10-6-7-11-17(16)22-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3