1-(1-adamantyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(5-esyl-1,3-benzoxazol-2-yl)thio]ethanone Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25NO4S2/c1-2-28(24,25)16-3-4-18-17(8-16)22-20(26-18)27-12-19(23)21-9-13-5-14(10-21)7-15(6-13)11-21/h3-4,8,13-15H,2,5-7,9-12H2,1H3