ethanedioic acid; 1-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol Openeye Name: 1-[[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-[2-(methylthio)phenoxy]-2-propanol; oxalic acid IUPAC Name: 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]amino]-3-[2-(methylthio)phenoxy]propan-2-ol; oxalic acid Formula: C24H30N2O6S MolecularWeight: 474.5698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3SC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3SC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O2S.C2H2O4/c1-22(2,12-16-13-23-19-9-5-4-8-18(16)19)24-14-17(25)15-26-20-10-6-7-11-21(20)27-3;3-1(4)2(5)6/h4-11,13,17,23-25H,12,14-15H2,1-3H3;(H,3,4)(H,5,6)