(2-oxidanylidene-2-thiophen-2-yl-ethyl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H19BrO3S MolecularWeight: 383.29996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C17H19BrO3S/c18-17-7-11-4-12(8-17)6-16(5-11,10-17)15(20)21-9-13(19)14-2-1-3-22-14/h1-3,11-12H,4-10H2/t11-,12+,16?,17?