[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CSCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CSCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H25NO3S2/c24-19(22-8-14-5-15(9-22)7-16(6-14)10-22)11-26-21(25)13-27-12-20-23-17-3-1-2-4-18(17)28-20/h1-4,14-16H,5-13H2