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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H20BrNO2S MolecularWeight: 406.3366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO2S/c20-19-8-12-5-13(9-19)7-18(6-12,11-19)17(22)23-10-16-21-14-3-1-2-4-15(14)24-16/h1-4,12-13H,5-11H2/t12-,13+,18?,19?