ethanoic acid; 2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-(3-methylsulfanyl-4-oxidanyl-phenyl)propan-1-one

Systemtic Name: ethanoic acid; 2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-(3-methylsulfanyl-4-oxidanyl-phenyl)propan-1-one Openeye Name: acetic acid; 1-(4-hydroxy-3-methylsulfanyl-phenyl)-2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]propan-1-one CAS Name: acetic acid; 1-[4-hydroxy-3-(methylthio)phenyl]-2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-propanone IUPAC Name: acetic acid; 1-(4-hydroxy-3-methylsulfanylphenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one Traditional Name: acetic acid; 1-[4-hydroxy-3-(methylthio)phenyl]-2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]propan-1-one Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S.C2H4O2/c1-13(11-15-5-8-17(24-3)9-6-15)21-14(2)20(23)16-7-10-18(22)19(12-16)25-4;1-2(3)4/h5-10,12-14,21-22H,11H2,1-4H3;1H3,(H,3,4)