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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C18H22BrNO3S MolecularWeight: 412.34118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO3S/c19-18-7-12-4-13(8-18)6-17(5-12,11-18)16(22)23-10-15(21)20-9-14-2-1-3-24-14/h1-3,12-13H,4-11H2,(H,20,21)/t12-,13+,17?,18?