(2R)-1-(1-adamantyl)-2-(1,3-benzoxazol-2-ylsulfanyl)propan-1-one

Systemtic Name: (2R)-1-(1-adamantyl)-2-(1,3-benzoxazol-2-ylsulfanyl)propan-1-one Openeye Name: (2R)-1-(1-adamantyl)-2-(1,3-benzoxazol-2-ylsulfanyl)propan-1-one CAS Name: (2R)-1-(1-adamantyl)-2-(1,3-benzoxazol-2-ylthio)-1-propanone IUPAC Name: (2R)-1-(1-adamantyl)-2-(1,3-benzoxazol-2-ylsulfanyl)propan-1-one Traditional Name: (2R)-1-(1-adamantyl)-2-(1,3-benzoxazol-2-ylthio)propan-1-one Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C20H23NO2S/c1-12(24-19-21-16-4-2-3-5-17(16)23-19)18(22)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,20?/m1/s1