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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C19H23NO4S/c1-12(21)20-19-8-13-5-14(9-19)7-18(6-13,11-19)17(23)24-10-15(22)16-3-2-4-25-16/h2-4,13-14H,5-11H2,1H3,(H,20,21)/t13-,14+,18?,19?