[2-[(4-tert-butylphenyl)methylsulfanyl]cyclohexyl] 3-(dimethylamino)propanoate

Systemtic Name: [2-[(4-tert-butylphenyl)methylsulfanyl]cyclohexyl] 3-(dimethylamino)propanoate Openeye Name: [2-[(4-tert-butylphenyl)methylsulfanyl]cyclohexyl] 3-(dimethylamino)propanoate CAS Name: 3-(dimethylamino)propanoic acid [2-[(4-tert-butylphenyl)methylthio]cyclohexyl] ester IUPAC Name: [2-[(4-tert-butylphenyl)methylsulfanyl]cyclohexyl] 3-(dimethylamino)propanoate Traditional Name: 3-(dimethylamino)propionic acid [2-[(4-tert-butylbenzyl)thio]cyclohexyl] ester Formula: C22H35NO2S MolecularWeight: 377.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2CCCCC2OC(=O)CCN(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2CCCCC2OC(=O)CCN(C)C

InChI

InChI=1S/C22H35NO2S/c1-22(2,3)18-12-10-17(11-13-18)16-26-20-9-7-6-8-19(20)25-21(24)14-15-23(4)5/h10-13,19-20H,6-9,14-16H2,1-5H3