1,3-benzothiazol-2-ylmethyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H21NO3S/c21-17(23-10-16-20-14-3-1-2-4-15(14)24-16)18-6-12-5-13(7-18)9-19(22,8-12)11-18/h1-4,12-13,22H,5-11H2/t12-,13+,18?,19?