ethyl 3-(1-adamantylsulfanyl)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]propanoate

Systemtic Name: ethyl 3-(1-adamantylsulfanyl)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]propanoate Openeye Name: ethyl 3-(1-adamantylsulfanyl)-2-[(2-tert-butoxy-1-methyl-2-oxo-ethyl)amino]propanoate CAS Name: 3-(1-adamantylthio)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-adamantylsulfanyl)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate Traditional Name: 3-(1-adamantylthio)-2-[(2-tert-butoxy-2-keto-1-methyl-ethyl)amino]propionic acid ethyl ester Formula: C22H37NO4S MolecularWeight: 411.59848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC12CC3CC(C1)CC(C3)C2)NC(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CSC12CC3CC(C1)CC(C3)C2)NC(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H37NO4S/c1-6-26-20(25)18(23-14(2)19(24)27-21(3,4)5)13-28-22-10-15-7-16(11-22)9-17(8-15)12-22/h14-18,23H,6-13H2,1-5H3