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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H23NO3S2 MolecularWeight: 401.54222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H23NO3S2/c23-18(21-8-13-5-14(9-21)7-15(6-13)10-21)11-25-19(24)12-26-20-22-16-3-1-2-4-17(16)27-20/h1-4,13-15H,5-12H2