2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylsulfanylphenyl)propane-1,3-diol

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylsulfanylphenyl)propane-1,3-diol Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]-1-(4-methylsulfanylphenyl)propane-1,3-diol CAS Name: 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-[4-(methylthio)phenyl]propane-1,3-diol IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylsulfanylphenyl)propane-1,3-diol Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]-1-[4-(methylthio)phenyl]propane-1,3-diol Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)NC(CO)C(C2=CC=C(C=C2)SC)O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)OC)NC(CO)C(C2=CC=C(C=C2)SC)O

InChI

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