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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C18H23NO4S/c20-15(19-9-14-2-1-3-24-14)10-23-16(21)17-5-12-4-13(6-17)8-18(22,7-12)11-17/h1-3,12-13,22H,4-11H2,(H,19,20)/t12-,13+,17?,18?