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

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C19H22ClNO4S MolecularWeight: 395.90028

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=C(S4)Cl

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C19H22ClNO4S/c1-11(22)21-19-7-12-4-13(8-19)6-18(5-12,10-19)17(24)25-9-14(23)15-2-3-16(20)26-15/h2-3,12-13H,4-10H2,1H3,(H,21,22)/t12-,13+,18?,19?