1-(1-adamantyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethanone Formula: C21H25NO2S2 MolecularWeight: 387.5587

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25NO2S2/c1-2-24-16-3-4-17-18(8-16)26-20(22-17)25-12-19(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