ethanedioic acid; 1-(3-methyl-4-methylsulfanyl-phenyl)-2-(propan-2-ylamino)ethanol

Systemtic Name: ethanedioic acid; 1-(3-methyl-4-methylsulfanyl-phenyl)-2-(propan-2-ylamino)ethanol Openeye Name: 2-(isopropylamino)-1-(3-methyl-4-methylsulfanyl-phenyl)ethanol; oxalic acid CAS Name: 1-[3-methyl-4-(methylthio)phenyl]-2-(propan-2-ylamino)ethanol; oxalic acid IUPAC Name: 1-(3-methyl-4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanol; oxalic acid Traditional Name: 2-(isopropylamino)-1-[3-methyl-4-(methylthio)phenyl]ethanol; oxalic acid Formula: C15H23NO5S MolecularWeight: 329.41182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CNC(C)C)O)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(CNC(C)C)O)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H21NOS.C2H2O4/c1-9(2)14-8-12(15)11-5-6-13(16-4)10(3)7-11;3-1(4)2(5)6/h5-7,9,12,14-15H,8H2,1-4H3;(H,3,4)(H,5,6)