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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H20O4S MolecularWeight: 320.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4S/c18-13(14-2-1-3-22-14)9-21-15(19)16-5-11-4-12(6-16)8-17(20,7-11)10-16/h1-3,11-12,20H,4-10H2/t11-,12+,16?,17?