1-(4-butoxy-3-methylsulfanyl-phenoxy)-3-(tert-butylamino)propan-2-ol

Systemtic Name: 1-(4-butoxy-3-methylsulfanyl-phenoxy)-3-(tert-butylamino)propan-2-ol Openeye Name: 1-(4-butoxy-3-methylsulfanyl-phenoxy)-3-(tert-butylamino)propan-2-ol CAS Name: 1-[4-butoxy-3-(methylthio)phenoxy]-3-(tert-butylamino)-2-propanol IUPAC Name: 1-(4-butoxy-3-methylsulfanylphenoxy)-3-(tert-butylamino)propan-2-ol Traditional Name: 1-[4-butoxy-3-(methylthio)phenoxy]-3-(tert-butylamino)propan-2-ol Formula: C18H31NO3S MolecularWeight: 341.50864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)OCC(CNC(C)(C)C)O)SC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)OCC(CNC(C)(C)C)O)SC

InChI

InChI=1S/C18H31NO3S/c1-6-7-10-21-16-9-8-15(11-17(16)23-5)22-13-14(20)12-19-18(2,3)4/h8-9,11,14,19-20H,6-7,10,12-13H2,1-5H3