methyl 3-[[2-(1H-indol-3-yl)ethylamino]oxymethylsulfanyl]-2-(4-methoxyoxan-4-yl)oxy-propanoate

Systemtic Name: methyl 3-[[2-(1H-indol-3-yl)ethylamino]oxymethylsulfanyl]-2-(4-methoxyoxan-4-yl)oxy-propanoate Openeye Name: methyl 3-[[2-(1H-indol-3-yl)ethylamino]oxymethylsulfanyl]-2-(4-methoxytetrahydropyran-4-yl)oxy-propanoate CAS Name: 3-[[2-(1H-indol-3-yl)ethylamino]oxymethylthio]-2-[(4-methoxy-4-oxanyl)oxy]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(1H-indol-3-yl)ethylamino]oxymethylsulfanyl]-2-(4-methoxyoxan-4-yl)oxypropanoate Traditional Name: 3-[[2-(1H-indol-3-yl)ethylamino]oxymethylthio]-2-(4-methoxytetrahydropyran-4-yl)oxy-propionic acid methyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCONCCC1=CNC2=CC=CC=C21)OC3(CCOCC3)OC

Isomeric SMILES

COC(=O)C(CSCONCCC1=CNC2=CC=CC=C21)OC3(CCOCC3)OC

InChI

InChI=1S/C21H30N2O6S/c1-25-20(24)19(29-21(26-2)8-11-27-12-9-21)14-30-15-28-23-10-7-16-13-22-18-6-4-3-5-17(16)18/h3-6,13,19,22-23H,7-12,14-15H2,1-2H3