2-[(5S,7R)-3-(methylsulfanylcarbonylamino)-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7R)-3-(methylsulfanylcarbonylamino)-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-(methylsulfanylcarbonylamino)-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-[[(methylthio)-oxomethyl]amino]-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-(methylsulfanylcarbonylamino)-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-[(methylthio)carbonylamino]-1-adamantyl]acetate Formula: C14H20NO3S- MolecularWeight: 282.3785

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)NC12CC3CC(C1)CC(C3)(C2)CC(=O)[O-]

Isomeric SMILES

CSC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)CC(=O)[O-]

InChI

InChI=1S/C14H21NO3S/c1-19-12(18)15-14-5-9-2-10(6-14)4-13(3-9,8-14)7-11(16)17/h9-10H,2-8H2,1H3,(H,15,18)(H,16,17)/p-1/t9-,10+,13?,14?