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

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C19H24ClNO3S MolecularWeight: 381.91676

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C19H24ClNO3S/c20-19-9-13-6-14(10-19)8-18(7-13,12-19)17(23)24-11-16(22)21-4-3-15-2-1-5-25-15/h1-2,5,13-14H,3-4,6-12H2,(H,21,22)/t13-,14+,18?,19?