ethanoic acid; 4-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol

Systemtic Name: ethanoic acid; 4-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol Openeye Name: acetic acid; 4-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]-2-methylsulfanyl-phenol CAS Name: acetic acid; 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-(methylthio)phenol IUPAC Name: acetic acid; 4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfanylphenol Traditional Name: acetic acid; 4-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]-2-(methylthio)phenol Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)SC)O

Isomeric SMILES

CC(=O)O.CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)SC)O

InChI

InChI=1S/C19H25NO2S.C2H4O2/c1-19(2,12-14-7-5-4-6-8-14)20-13-17(22)15-9-10-16(21)18(11-15)23-3;1-2(3)4/h4-11,17,20-22H,12-13H2,1-3H3;1H3,(H,3,4)