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

Systemtic Name: [4-[3-(2-ethylsulfanylbutan-2-ylamino)-2-oxidanyl-propoxy]-1H-indol-6-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[3-[(1-ethylsulfanyl-1-methyl-propyl)amino]-2-hydroxy-propoxy]-1H-indol-6-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[3-[2-(ethylthio)butan-2-ylamino]-2-hydroxypropoxy]-1H-indol-6-yl]methyl ester IUPAC Name: [4-[3-(2-ethylsulfanylbutan-2-ylamino)-2-hydroxypropoxy]-1H-indol-6-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[3-[[1-(ethylthio)-1-methyl-propyl]amino]-2-hydroxy-propoxy]-1H-indol-6-yl]methyl ester Formula: C23H36N2O4S MolecularWeight: 436.60794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(NCC(COC1=CC(=CC2=C1C=CN2)COC(=O)C(C)(C)C)O)SCC

Isomeric SMILES

CCC(C)(NCC(COC1=CC(=CC2=C1C=CN2)COC(=O)C(C)(C)C)O)SCC

InChI

InChI=1S/C23H36N2O4S/c1-7-23(6,30-8-2)25-13-17(26)15-28-20-12-16(11-19-18(20)9-10-24-19)14-29-21(27)22(3,4)5/h9-12,17,24-26H,7-8,13-15H2,1-6H3