1-adamantyl 4-tert-butylsulfanyl-2,3-dimethyl-4-oxidanylidene-butanoate

Systemtic Name: 1-adamantyl 4-tert-butylsulfanyl-2,3-dimethyl-4-oxidanylidene-butanoate Openeye Name: 1-adamantyl 4-tert-butylsulfanyl-2,3-dimethyl-4-oxo-butanoate CAS Name: 4-(tert-butylthio)-2,3-dimethyl-4-oxobutanoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 4-tert-butylsulfanyl-2,3-dimethyl-4-oxobutanoate Traditional Name: 4-(tert-butylthio)-4-keto-2,3-dimethyl-butyric acid 1-adamantyl ester Formula: C20H32O3S MolecularWeight: 352.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)C(=O)SC(C)(C)C)C(=O)OC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C(C)C(=O)SC(C)(C)C)C(=O)OC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H32O3S/c1-12(13(2)18(22)24-19(3,4)5)17(21)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h12-16H,6-11H2,1-5H3