[4-[3-(2-methylsulfanylpropan-2-ylamino)-2-oxidanyl-propoxy]-1H-indol-6-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[3-(2-methylsulfanylpropan-2-ylamino)-2-oxidanyl-propoxy]-1H-indol-6-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[2-hydroxy-3-[(1-methyl-1-methylsulfanyl-ethyl)amino]propoxy]-1H-indol-6-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[2-hydroxy-3-[2-(methylthio)propan-2-ylamino]propoxy]-1H-indol-6-yl]methyl ester IUPAC Name: [4-[2-hydroxy-3-(2-methylsulfanylpropan-2-ylamino)propoxy]-1H-indol-6-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[2-hydroxy-3-[[1-methyl-1-(methylthio)ethyl]amino]propoxy]-1H-indol-6-yl]methyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1=CC2=C(C=CN2)C(=C1)OCC(CNC(C)(C)SC)O

Isomeric SMILES

CC(C)(C)C(=O)OCC1=CC2=C(C=CN2)C(=C1)OCC(CNC(C)(C)SC)O

InChI

InChI=1S/C21H32N2O4S/c1-20(2,3)19(25)27-12-14-9-17-16(7-8-22-17)18(10-14)26-13-15(24)11-23-21(4,5)28-6/h7-10,15,22-24H,11-13H2,1-6H3