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

Systemtic Name: [4-[3-(2-methylsulfanylbutan-2-ylamino)-2-oxidanyl-propoxy]-1H-indol-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[2-hydroxy-3-[(1-methyl-1-methylsulfanyl-propyl)amino]propoxy]-1H-indol-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[2-hydroxy-3-[2-(methylthio)butan-2-ylamino]propoxy]-1H-indol-2-yl]methyl ester IUPAC Name: [4-[2-hydroxy-3-(2-methylsulfanylbutan-2-ylamino)propoxy]-1H-indol-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[2-hydroxy-3-[[1-methyl-1-(methylthio)propyl]amino]propoxy]-1H-indol-2-yl]methyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(NCC(COC1=CC=CC2=C1C=C(N2)COC(=O)C(C)(C)C)O)SC

Isomeric SMILES

CCC(C)(NCC(COC1=CC=CC2=C1C=C(N2)COC(=O)C(C)(C)C)O)SC

InChI

InChI=1S/C22H34N2O4S/c1-7-22(5,29-6)23-12-16(25)14-27-19-10-8-9-18-17(19)11-15(24-18)13-28-20(26)21(2,3)4/h8-11,16,23-25H,7,12-14H2,1-6H3