ethanoic acid; 2-methylsulfanyl-4-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]phenol

Systemtic Name: ethanoic acid; 2-methylsulfanyl-4-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]phenol Openeye Name: acetic acid; 4-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-2-methylsulfanyl-phenol CAS Name: acetic acid; 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(methylthio)phenol IUPAC Name: acetic acid; 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-methylsulfanylphenol Traditional Name: acetic acid; 4-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-2-(methylthio)phenol Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)SC)O.CC(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)SC)O.CC(=O)O

InChI

InChI=1S/C19H25NO2S.C2H4O2/c1-14(8-9-15-6-4-3-5-7-15)20-13-18(22)16-10-11-17(21)19(12-16)23-2;1-2(3)4/h3-7,10-12,14,18,20-22H,8-9,13H2,1-2H3;1H3,(H,3,4)