(5S,7R)-3-(methylsulfanylcarbonylamino)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(methylsulfanylcarbonylamino)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(methylsulfanylcarbonylamino)adamantane-1-carboxylate CAS Name: (5S,7R)-3-[[(methylthio)-oxomethyl]amino]-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(methylsulfanylcarbonylamino)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-[(methylthio)carbonylamino]adamantane-1-carboxylate Formula: C13H18NO3S- MolecularWeight: 268.35192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c1-18-11(17)14-13-5-8-2-9(6-13)4-12(3-8,7-13)10(15)16/h8-9H,2-7H2,1H3,(H,14,17)(H,15,16)/p-1/t8-,9+,12?,13?