1-[2-(2-methoxy-5-methyl-4-methylsulfanyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol

Systemtic Name: 1-[2-(2-methoxy-5-methyl-4-methylsulfanyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol Openeye Name: 1-[2-(2-methoxy-5-methyl-4-methylsulfanyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol CAS Name: 1-[2-[2-methoxy-5-methyl-4-(methylthio)phenoxy]ethylamino]-3-(2-methylphenoxy)-2-propanol IUPAC Name: 1-[2-(2-methoxy-5-methyl-4-methylsulfanylphenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol Traditional Name: 1-[2-[2-methoxy-5-methyl-4-(methylthio)phenoxy]ethylamino]-3-(2-methylphenoxy)propan-2-ol Formula: C21H29NO4S MolecularWeight: 391.52426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CNCCOC2=C(C=C(C(=C2)C)SC)OC)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CNCCOC2=C(C=C(C(=C2)C)SC)OC)O

InChI

InChI=1S/C21H29NO4S/c1-15-7-5-6-8-18(15)26-14-17(23)13-22-9-10-25-20-11-16(2)21(27-4)12-19(20)24-3/h5-8,11-12,17,22-23H,9-10,13-14H2,1-4H3