2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl adamantane-1-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl adamantane-1-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCCN4C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCCN4C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C20H23NO5S/c22-18-16-3-1-2-4-17(16)27(24,25)21(18)5-6-26-19(23)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5-12H2